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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/159-VP23-O-4698bbb4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/159-VP23-O-4698bbb4/inputs/seq.fa: 1
curr_seq: _UAUAUGGAAGAUAUUGGAGUCCUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UAUAUGGAAGAUAUUGGAGUCCUU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -90.386874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386874 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -151.450489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.450489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.450489 (E_RNA)
where:
Base-Base interactions energy: -69.094
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.022
local terms energy: -82.333628
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -125.737314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.737314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.737314 (E_RNA)
where:
Base-Base interactions energy: -59.822
where: short stacking energy: -57.426
Base-Backbone interact. energy: -0.017
local terms energy: -65.897726
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -11.014
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -136.440475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.440475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.440475 (E_RNA)
where:
Base-Base interactions energy: -62.044
where: short stacking energy: -58.501
Base-Backbone interact. energy: -0.152
local terms energy: -74.244409
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -111.458681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.458681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.458681 (E_RNA)
where:
Base-Base interactions energy: -47.950
where: short stacking energy: -43.491
Base-Backbone interact. energy: 1.025
local terms energy: -64.534035
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.916
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -120.729212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.729212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.729212 (E_RNA)
where:
Base-Base interactions energy: -57.900
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.235
local terms energy: -62.594428
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -9.202
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -114.710350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.710350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.710350 (E_RNA)
where:
Base-Base interactions energy: -61.581
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.174
local terms energy: -52.955461
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -2.599
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: 2
Temperature: 1.200000
Total energy: -89.698186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698186 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -88.570865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -20.083
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -94.285325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.285325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.285325 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -31.221
Base-Backbone interact. energy: -0.020
local terms energy: -55.388367
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -7.347
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -89.698186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698186 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -88.570865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -89.698186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698186 (E_RNA)
where:
Base-Base interactions energy: -1.127
where: short stacking energy: -1.127
Base-Backbone interact. energy: -0.000
local terms energy: -88.570865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -20.083
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -162.987807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.987807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.987807 (E_RNA)
where:
Base-Base interactions energy: -76.874
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.000
local terms energy: -86.112909
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -20.257
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -144.797731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.797731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.797731 (E_RNA)
where:
Base-Base interactions energy: -73.764
where: short stacking energy: -48.218
Base-Backbone interact. energy: -0.126
local terms energy: -70.908345
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -170.999245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.999245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.999245 (E_RNA)
where:
Base-Base interactions energy: -101.347
where: short stacking energy: -60.965
Base-Backbone interact. energy: 0.217
local terms energy: -69.869731
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -154.592879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.592879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.592879 (E_RNA)
where:
Base-Base interactions energy: -90.077
where: short stacking energy: -50.089
Base-Backbone interact. energy: -0.363
local terms energy: -64.152764
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -104.233063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.233063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.233063 (E_RNA)
where:
Base-Base interactions energy: -43.331
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.482
local terms energy: -60.419623
where:
bonds (distance) C4'-P energy: -6.639
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -124.728792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.728792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.728792 (E_RNA)
where:
Base-Base interactions energy: -63.180
where: short stacking energy: -25.852
Base-Backbone interact. energy: 0.657
local terms energy: -62.206029
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -111.225584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.225584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.225584 (E_RNA)
where:
Base-Base interactions energy: -49.728
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.294
local terms energy: -61.203602
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -90.417987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.417987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.417987 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -25.377
Base-Backbone interact. energy: -1.429
local terms energy: -54.318482
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -7.960
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -96.914372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.914372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.914372 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -27.032
Base-Backbone interact. energy: -1.213
local terms energy: -53.826679
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -99.584009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.584009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.584009 (E_RNA)
where:
Base-Base interactions energy: -56.660
where: short stacking energy: -32.945
Base-Backbone interact. energy: -0.093
local terms energy: -42.831607
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -187.567524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.567524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.567524 (E_RNA)
where:
Base-Base interactions energy: -119.557
where: short stacking energy: -53.613
Base-Backbone interact. energy: 0.154
local terms energy: -68.164592
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -200.866064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.866064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.866064 (E_RNA)
where:
Base-Base interactions energy: -133.649
where: short stacking energy: -47.238
Base-Backbone interact. energy: -2.226
local terms energy: -64.991236
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -203.836883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.836883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.836883 (E_RNA)
where:
Base-Base interactions energy: -120.607
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.001
local terms energy: -83.229085
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -21.280
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: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -166.688792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.688792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.688792 (E_RNA)
where:
Base-Base interactions energy: -99.847
where: short stacking energy: -48.338
Base-Backbone interact. energy: -0.358
local terms energy: -66.483269
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -12.200
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -133.608060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.608060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.608060 (E_RNA)
where:
Base-Base interactions energy: -69.188
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.345
local terms energy: -64.074992
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -100.419304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.419304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.419304 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.186
local terms energy: -61.495339
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -117.818928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.818928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.818928 (E_RNA)
where:
Base-Base interactions energy: -60.972
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.126
local terms energy: -56.721434
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -98.702826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702826 (E_RNA)
where:
Base-Base interactions energy: -50.878
where: short stacking energy: -21.394
Base-Backbone interact. energy: -0.556
local terms energy: -47.268159
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -89.371379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.371379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.371379 (E_RNA)
where:
Base-Base interactions energy: -29.982
where: short stacking energy: -28.258
Base-Backbone interact. energy: -0.213
local terms energy: -59.176337
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: 0.637
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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -82.470261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.470261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.470261 (E_RNA)
where:
Base-Base interactions energy: -33.998
where: short stacking energy: -19.294
Base-Backbone interact. energy: -0.863
local terms energy: -47.608621
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -202.872145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.872145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.872145 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -46.876
Base-Backbone interact. energy: -0.206
local terms energy: -76.780654
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -207.412217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.412217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.412217 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -57.839
Base-Backbone interact. energy: -1.262
local terms energy: -78.706643
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -172.536621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.536621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.536621 (E_RNA)
where:
Base-Base interactions energy: -106.337
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.205
local terms energy: -65.994616
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -14.240
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -198.783382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.783382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.783382 (E_RNA)
where:
Base-Base interactions energy: -123.646
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.113
local terms energy: -75.024306
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -156.253788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.253788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.253788 (E_RNA)
where:
Base-Base interactions energy: -94.525
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.789
local terms energy: -60.939518
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -6.009
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -109.839828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.839828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.839828 (E_RNA)
where:
Base-Base interactions energy: -43.183
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.535
local terms energy: -66.121688
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -3.271
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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -87.901661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.901661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.901661 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.473
local terms energy: -50.905123
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -6.591
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: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -91.732752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.732752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.732752 (E_RNA)
where:
Base-Base interactions energy: -39.601
where: short stacking energy: -22.014
Base-Backbone interact. energy: -0.144
local terms energy: -51.987704
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -101.627456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.627456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.627456 (E_RNA)
where:
Base-Base interactions energy: -42.899
where: short stacking energy: -31.373
Base-Backbone interact. energy: -0.206
local terms energy: -58.522884
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -2.584
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -82.933281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.933281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.933281 (E_RNA)
where:
Base-Base interactions energy: -20.067
where: short stacking energy: -15.142
Base-Backbone interact. energy: -0.200
local terms energy: -62.666399
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -218.821646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821646 (E_RNA)
where:
Base-Base interactions energy: -135.104
where: short stacking energy: -68.990
Base-Backbone interact. energy: -0.031
local terms energy: -83.686464
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -200.808139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.808139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.808139 (E_RNA)
where:
Base-Base interactions energy: -130.538
where: short stacking energy: -58.404
Base-Backbone interact. energy: -1.370
local terms energy: -68.899552
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -10.088
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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -180.382228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.382228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.382228 (E_RNA)
where:
Base-Base interactions energy: -113.961
where: short stacking energy: -53.147
Base-Backbone interact. energy: -1.901
local terms energy: -64.519876
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -11.095
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -167.361611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.361611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.361611 (E_RNA)
where:
Base-Base interactions energy: -110.879
where: short stacking energy: -39.228
Base-Backbone interact. energy: -0.756
local terms energy: -55.726527
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -181.503484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.503484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.503484 (E_RNA)
where:
Base-Base interactions energy: -112.449
where: short stacking energy: -51.782
Base-Backbone interact. energy: -1.437
local terms energy: -67.617465
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -117.760333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.760333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.760333 (E_RNA)
where:
Base-Base interactions energy: -58.121
where: short stacking energy: -46.083
Base-Backbone interact. energy: 0.580
local terms energy: -60.219541
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -89.559178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.559178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.559178 (E_RNA)
where:
Base-Base interactions energy: -28.012
where: short stacking energy: -19.092
Base-Backbone interact. energy: 0.363
local terms energy: -61.910173
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -91.186832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.186832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.186832 (E_RNA)
where:
Base-Base interactions energy: -33.084
where: short stacking energy: -25.695
Base-Backbone interact. energy: -0.327
local terms energy: -57.775457
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -85.426553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426553 (E_RNA)
where:
Base-Base interactions energy: -30.984
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.297
local terms energy: -54.145639
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: 3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -80.204799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204799 (E_RNA)
where:
Base-Base interactions energy: -23.573
where: short stacking energy: -9.706
Base-Backbone interact. energy: 0.268
local terms energy: -56.900308
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -235.528280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.528280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.528280 (E_RNA)
where:
Base-Base interactions energy: -144.004
where: short stacking energy: -70.270
Base-Backbone interact. energy: 0.632
local terms energy: -92.155890
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -17.956
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: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -213.619783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.619783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.619783 (E_RNA)
where:
Base-Base interactions energy: -127.256
where: short stacking energy: -73.761
Base-Backbone interact. energy: 0.284
local terms energy: -86.647447
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -181.726119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.726119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.726119 (E_RNA)
where:
Base-Base interactions energy: -110.326
where: short stacking energy: -53.796
Base-Backbone interact. energy: -0.540
local terms energy: -70.860967
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -205.330426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.330426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.330426 (E_RNA)
where:
Base-Base interactions energy: -123.741
where: short stacking energy: -53.489
Base-Backbone interact. energy: -0.220
local terms energy: -81.369766
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -157.794593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.794593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.794593 (E_RNA)
where:
Base-Base interactions energy: -97.194
where: short stacking energy: -38.057
Base-Backbone interact. energy: 0.216
local terms energy: -60.816469
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -4.596
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: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -123.656104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.656104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.656104 (E_RNA)
where:
Base-Base interactions energy: -61.899
where: short stacking energy: -30.229
Base-Backbone interact. energy: -0.738
local terms energy: -61.019582
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -88.028986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.028986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.028986 (E_RNA)
where:
Base-Base interactions energy: -31.668
where: short stacking energy: -30.861
Base-Backbone interact. energy: -0.332
local terms energy: -56.029609
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -96.923578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.923578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.923578 (E_RNA)
where:
Base-Base interactions energy: -50.908
where: short stacking energy: -30.240
Base-Backbone interact. energy: -0.390
local terms energy: -45.624832
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: 0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -82.525923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.525923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.525923 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -37.086
Base-Backbone interact. energy: -0.017
local terms energy: -44.905545
where:
bonds (distance) C4'-P energy: -5.205
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -75.733727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.733727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.733727 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -20.908
Base-Backbone interact. energy: -0.174
local terms energy: -41.909276
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -1.872
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: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -220.281527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.281527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.281527 (E_RNA)
where:
Base-Base interactions energy: -139.403
where: short stacking energy: -65.175
Base-Backbone interact. energy: 0.325
local terms energy: -81.203529
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -225.565088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.565088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.565088 (E_RNA)
where:
Base-Base interactions energy: -137.303
where: short stacking energy: -71.831
Base-Backbone interact. energy: -0.594
local terms energy: -87.668159
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -16.904
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: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -229.780156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.780156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.780156 (E_RNA)
where:
Base-Base interactions energy: -147.598
where: short stacking energy: -64.737
Base-Backbone interact. energy: -0.375
local terms energy: -81.807215
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -20.156
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -156.081506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.081506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.081506 (E_RNA)
where:
Base-Base interactions energy: -96.317
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.179
local terms energy: -59.585549
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -140.407126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.407126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.407126 (E_RNA)
where:
Base-Base interactions energy: -75.355
where: short stacking energy: -38.656
Base-Backbone interact. energy: -2.386
local terms energy: -62.666110
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -8.731
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: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -106.625487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.625487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.625487 (E_RNA)
where:
Base-Base interactions energy: -37.025
where: short stacking energy: -36.949
Base-Backbone interact. energy: -0.193
local terms energy: -69.407222
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -96.282413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.282413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.282413 (E_RNA)
where:
Base-Base interactions energy: -37.869
where: short stacking energy: -36.977
Base-Backbone interact. energy: 0.790
local terms energy: -59.203220
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -93.885916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.885916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.885916 (E_RNA)
where:
Base-Base interactions energy: -44.175
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.022
local terms energy: -49.689630
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -6.863
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -84.547774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.547774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.547774 (E_RNA)
where:
Base-Base interactions energy: -33.859
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.329
local terms energy: -50.359786
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: 3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -96.576447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.576447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.576447 (E_RNA)
where:
Base-Base interactions energy: -39.926
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.683
local terms energy: -55.967705
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -228.465662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.465662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.465662 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -69.515
Base-Backbone interact. energy: -0.109
local terms energy: -91.155284
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -20.418
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: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -213.853493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.853493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.853493 (E_RNA)
where:
Base-Base interactions energy: -133.787
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.055
local terms energy: -80.011813
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -203.086451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.086451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.086451 (E_RNA)
where:
Base-Base interactions energy: -124.128
where: short stacking energy: -65.564
Base-Backbone interact. energy: -0.234
local terms energy: -78.724074
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -211.288089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.288089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.288089 (E_RNA)
where:
Base-Base interactions energy: -133.966
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.188
local terms energy: -77.135020
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -155.334551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.334551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.334551 (E_RNA)
where:
Base-Base interactions energy: -82.965
where: short stacking energy: -42.891
Base-Backbone interact. energy: 0.578
local terms energy: -72.947803
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -98.868634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.868634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.868634 (E_RNA)
where:
Base-Base interactions energy: -39.077
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.134
local terms energy: -59.656894
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -5.153
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: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -98.309433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.309433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.309433 (E_RNA)
where:
Base-Base interactions energy: -39.182
where: short stacking energy: -29.389
Base-Backbone interact. energy: -0.305
local terms energy: -58.822384
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -8.750
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -93.062239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.062239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.062239 (E_RNA)
where:
Base-Base interactions energy: -39.872
where: short stacking energy: -38.933
Base-Backbone interact. energy: -0.283
local terms energy: -52.907890
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -80.210557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.210557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.210557 (E_RNA)
where:
Base-Base interactions energy: -24.621
where: short stacking energy: -24.621
Base-Backbone interact. energy: -0.062
local terms energy: -55.528197
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -81.319171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.319171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.319171 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -18.773
Base-Backbone interact. energy: -0.037
local terms energy: -53.242000
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -229.657419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.657419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.657419 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -75.004
Base-Backbone interact. energy: -0.002
local terms energy: -88.022014
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -220.203499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.203499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.203499 (E_RNA)
where:
Base-Base interactions energy: -142.350
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.495
local terms energy: -77.358206
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -21.083
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: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -224.348732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.348732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.348732 (E_RNA)
where:
Base-Base interactions energy: -148.223
where: short stacking energy: -67.049
Base-Backbone interact. energy: 1.632
local terms energy: -77.757560
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -190.954443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.954443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.954443 (E_RNA)
where:
Base-Base interactions energy: -115.974
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.256
local terms energy: -74.724691
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -221.754230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.754230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.754230 (E_RNA)
where:
Base-Base interactions energy: -142.324
where: short stacking energy: -70.982
Base-Backbone interact. energy: -0.532
local terms energy: -78.898318
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -107.756464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.756464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.756464 (E_RNA)
where:
Base-Base interactions energy: -43.750
where: short stacking energy: -37.962
Base-Backbone interact. energy: -0.059
local terms energy: -63.946708
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -6.470
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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -110.134713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.134713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.134713 (E_RNA)
where:
Base-Base interactions energy: -37.741
where: short stacking energy: -34.673
Base-Backbone interact. energy: -0.083
local terms energy: -72.310528
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -90.146675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.146675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.146675 (E_RNA)
where:
Base-Base interactions energy: -34.773
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.198
local terms energy: -55.175066
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -5.908
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: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -82.824084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.824084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.824084 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -22.779
Base-Backbone interact. energy: 1.611
local terms energy: -55.724016
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -83.976518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.976518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.976518 (E_RNA)
where:
Base-Base interactions energy: -35.682
where: short stacking energy: -17.046
Base-Backbone interact. energy: -0.165
local terms energy: -48.129671
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: 5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -221.018341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.018341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.018341 (E_RNA)
where:
Base-Base interactions energy: -144.854
where: short stacking energy: -70.630
Base-Backbone interact. energy: -0.685
local terms energy: -75.479869
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -217.352455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.352455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.352455 (E_RNA)
where:
Base-Base interactions energy: -136.581
where: short stacking energy: -55.454
Base-Backbone interact. energy: 0.352
local terms energy: -81.123007
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -14.661
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: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -217.173381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.173381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.173381 (E_RNA)
where:
Base-Base interactions energy: -136.750
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.129
local terms energy: -80.294305
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -210.399790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399790 (E_RNA)
where:
Base-Base interactions energy: -131.725
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.320
local terms energy: -78.354179
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -178.250381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.250381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.250381 (E_RNA)
where:
Base-Base interactions energy: -99.938
where: short stacking energy: -56.227
Base-Backbone interact. energy: -1.001
local terms energy: -77.311882
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -110.593064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.593064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.593064 (E_RNA)
where:
Base-Base interactions energy: -43.415
where: short stacking energy: -42.729
Base-Backbone interact. energy: -1.405
local terms energy: -65.773009
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -10.853
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: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -94.662006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.662006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.662006 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.008
local terms energy: -56.694823
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -112.337707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.337707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.337707 (E_RNA)
where:
Base-Base interactions energy: -46.645
where: short stacking energy: -46.645
Base-Backbone interact. energy: -0.009
local terms energy: -65.683683
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -98.901715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.901715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.901715 (E_RNA)
where:
Base-Base interactions energy: -46.064
where: short stacking energy: -31.129
Base-Backbone interact. energy: -0.169
local terms energy: -52.668592
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -2.417
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: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -82.351410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.351410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.351410 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -26.320
Base-Backbone interact. energy: -0.290
local terms energy: -52.535321
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -227.191362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.191362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.191362 (E_RNA)
where:
Base-Base interactions energy: -147.529
where: short stacking energy: -71.272
Base-Backbone interact. energy: -1.215
local terms energy: -78.447880
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -16.905
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: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -233.824525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.824525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.824525 (E_RNA)
where:
Base-Base interactions energy: -152.637
where: short stacking energy: -81.430
Base-Backbone interact. energy: -0.011
local terms energy: -81.177078
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -219.303533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.303533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.303533 (E_RNA)
where:
Base-Base interactions energy: -136.091
where: short stacking energy: -76.258
Base-Backbone interact. energy: -0.789
local terms energy: -82.423356
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -23.080
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: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -218.668133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.668133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.668133 (E_RNA)
where:
Base-Base interactions energy: -143.812
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.081
local terms energy: -74.774891
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -172.891858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.891858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.891858 (E_RNA)
where:
Base-Base interactions energy: -104.798
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.756
local terms energy: -67.337702
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -9.898
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: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -106.155377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.155377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.155377 (E_RNA)
where:
Base-Base interactions energy: -53.245
where: short stacking energy: -34.588
Base-Backbone interact. energy: -0.109
local terms energy: -52.800728
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -99.238559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.238559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.238559 (E_RNA)
where:
Base-Base interactions energy: -44.404
where: short stacking energy: -22.884
Base-Backbone interact. energy: -0.432
local terms energy: -54.402607
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: 1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -88.644515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.644515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.644515 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.121
local terms energy: -55.459080
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -96.795170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.795170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.795170 (E_RNA)
where:
Base-Base interactions energy: -41.326
where: short stacking energy: -28.654
Base-Backbone interact. energy: 0.069
local terms energy: -55.538441
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -86.357791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.357791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.357791 (E_RNA)
where:
Base-Base interactions energy: -24.500
where: short stacking energy: -20.441
Base-Backbone interact. energy: -1.056
local terms energy: -60.801538
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: 1.731
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: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -235.554323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.554323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.554323 (E_RNA)
where:
Base-Base interactions energy: -159.678
where: short stacking energy: -66.411
Base-Backbone interact. energy: -2.235
local terms energy: -73.642125
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -226.908657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.908657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.908657 (E_RNA)
where:
Base-Base interactions energy: -136.602
where: short stacking energy: -63.125
Base-Backbone interact. energy: -2.122
local terms energy: -88.185078
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -230.657979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.657979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.657979 (E_RNA)
where:
Base-Base interactions energy: -142.730
where: short stacking energy: -76.096
Base-Backbone interact. energy: -0.031
local terms energy: -87.896623
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -208.059334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.059334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.059334 (E_RNA)
where:
Base-Base interactions energy: -133.435
where: short stacking energy: -57.785
Base-Backbone interact. energy: 0.108
local terms energy: -74.732339
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -181.296232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.296232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.296232 (E_RNA)
where:
Base-Base interactions energy: -108.751
where: short stacking energy: -69.333
Base-Backbone interact. energy: -0.132
local terms energy: -72.413135
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -107.920382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.920382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.920382 (E_RNA)
where:
Base-Base interactions energy: -46.688
where: short stacking energy: -28.756
Base-Backbone interact. energy: -0.021
local terms energy: -61.210795
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -105.896606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.896606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.896606 (E_RNA)
where:
Base-Base interactions energy: -52.529
where: short stacking energy: -27.696
Base-Backbone interact. energy: 1.989
local terms energy: -55.356274
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: 1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -88.104138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104138 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -27.376
Base-Backbone interact. energy: -0.147
local terms energy: -59.034792
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -84.872586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.872586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.872586 (E_RNA)
where:
Base-Base interactions energy: -31.011
where: short stacking energy: -31.011
Base-Backbone interact. energy: -0.163
local terms energy: -53.698727
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.222
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: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -83.504230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.504230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.504230 (E_RNA)
where:
Base-Base interactions energy: -32.531
where: short stacking energy: -27.442
Base-Backbone interact. energy: -0.182
local terms energy: -50.791539
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: 1.851
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: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -227.320604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.320604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.320604 (E_RNA)
where:
Base-Base interactions energy: -142.079
where: short stacking energy: -68.838
Base-Backbone interact. energy: -0.008
local terms energy: -85.233411
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -21.185
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: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -239.567180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.567180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.567180 (E_RNA)
where:
Base-Base interactions energy: -161.068
where: short stacking energy: -59.577
Base-Backbone interact. energy: -0.948
local terms energy: -77.551093
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -219.288635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.288635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.288635 (E_RNA)
where:
Base-Base interactions energy: -137.573
where: short stacking energy: -61.065
Base-Backbone interact. energy: -0.003
local terms energy: -81.713197
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -20.815
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: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -213.150681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.150681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.150681 (E_RNA)
where:
Base-Base interactions energy: -133.579
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.011
local terms energy: -79.561211
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -190.827021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.827021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.827021 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -56.460
Base-Backbone interact. energy: -0.619
local terms energy: -80.279831
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -104.298235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.298235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.298235 (E_RNA)
where:
Base-Base interactions energy: -42.975
where: short stacking energy: -23.752
Base-Backbone interact. energy: -0.099
local terms energy: -61.223737
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -7.091
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: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -108.132024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.132024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.132024 (E_RNA)
where:
Base-Base interactions energy: -56.590
where: short stacking energy: -29.232
Base-Backbone interact. energy: 4.918
local terms energy: -56.460146
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: 3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -84.174378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.174378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.174378 (E_RNA)
where:
Base-Base interactions energy: -30.322
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.174
local terms energy: -53.677958
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -83.216858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.216858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.216858 (E_RNA)
where:
Base-Base interactions energy: -22.338
where: short stacking energy: -22.208
Base-Backbone interact. energy: -0.140
local terms energy: -60.739303
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -95.855437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.855437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.855437 (E_RNA)
where:
Base-Base interactions energy: -45.838
where: short stacking energy: -28.527
Base-Backbone interact. energy: -0.138
local terms energy: -49.879159
where:
bonds (distance) C4'-P energy: -7.607
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -236.710949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.710949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.710949 (E_RNA)
where:
Base-Base interactions energy: -151.970
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.020
local terms energy: -84.721364
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -229.859569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.859569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.859569 (E_RNA)
where:
Base-Base interactions energy: -149.335
where: short stacking energy: -66.745
Base-Backbone interact. energy: -2.558
local terms energy: -77.967264
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -19.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -214.377284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.377284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.377284 (E_RNA)
where:
Base-Base interactions energy: -146.747
where: short stacking energy: -57.475
Base-Backbone interact. energy: -1.321
local terms energy: -66.309329
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -208.684134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.684134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.684134 (E_RNA)
where:
Base-Base interactions energy: -130.575
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.061
local terms energy: -78.048220
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -188.012605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.012605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.012605 (E_RNA)
where:
Base-Base interactions energy: -118.013
where: short stacking energy: -51.546
Base-Backbone interact. energy: -0.238
local terms energy: -69.761426
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -107.669512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.669512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.669512 (E_RNA)
where:
Base-Base interactions energy: -41.728
where: short stacking energy: -36.700
Base-Backbone interact. energy: -0.792
local terms energy: -65.150316
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -106.810911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.810911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.810911 (E_RNA)
where:
Base-Base interactions energy: -48.801
where: short stacking energy: -33.514
Base-Backbone interact. energy: 0.792
local terms energy: -58.802264
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -85.042437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.042437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.042437 (E_RNA)
where:
Base-Base interactions energy: -33.258
where: short stacking energy: -32.629
Base-Backbone interact. energy: -0.228
local terms energy: -51.556647
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -91.173854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.173854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.173854 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -30.967
Base-Backbone interact. energy: -1.226
local terms energy: -52.426414
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -4.891
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: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -87.833040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.833040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.833040 (E_RNA)
where:
Base-Base interactions energy: -33.507
where: short stacking energy: -30.392
Base-Backbone interact. energy: 0.257
local terms energy: -54.582549
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -231.326247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.326247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.326247 (E_RNA)
where:
Base-Base interactions energy: -160.225
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.024
local terms energy: -71.076721
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -17.690
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: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -229.568108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.568108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.568108 (E_RNA)
where:
Base-Base interactions energy: -152.573
where: short stacking energy: -59.248
Base-Backbone interact. energy: -0.858
local terms energy: -76.137160
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -216.321712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.321712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.321712 (E_RNA)
where:
Base-Base interactions energy: -132.832
where: short stacking energy: -64.780
Base-Backbone interact. energy: -1.016
local terms energy: -82.474264
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -195.699839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.699839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.699839 (E_RNA)
where:
Base-Base interactions energy: -126.291
where: short stacking energy: -57.959
Base-Backbone interact. energy: -2.015
local terms energy: -67.394374
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -11.909
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: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -211.197907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.197907 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.809
local terms energy: -70.826959
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -105.370496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.370496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.370496 (E_RNA)
where:
Base-Base interactions energy: -44.914
where: short stacking energy: -22.842
Base-Backbone interact. energy: -0.981
local terms energy: -59.475399
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -107.357593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.357593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.357593 (E_RNA)
where:
Base-Base interactions energy: -40.029
where: short stacking energy: -28.065
Base-Backbone interact. energy: 1.926
local terms energy: -69.254339
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -6.599
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: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -95.014011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.014011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.014011 (E_RNA)
where:
Base-Base interactions energy: -39.425
where: short stacking energy: -20.830
Base-Backbone interact. energy: 0.618
local terms energy: -56.206381
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -103.021330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.021330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.021330 (E_RNA)
where:
Base-Base interactions energy: -42.072
where: short stacking energy: -36.190
Base-Backbone interact. energy: -0.306
local terms energy: -60.643327
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.364134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.364134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.364134 (E_RNA)
where:
Base-Base interactions energy: -34.236
where: short stacking energy: -27.503
Base-Backbone interact. energy: -0.036
local terms energy: -50.091946
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -232.037567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.037567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.037567 (E_RNA)
where:
Base-Base interactions energy: -152.223
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.044
local terms energy: -79.770563
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -221.945735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.945735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.945735 (E_RNA)
where:
Base-Base interactions energy: -147.142
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.027
local terms energy: -74.776999
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -219.360638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.360638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.360638 (E_RNA)
where:
Base-Base interactions energy: -138.423
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.816
local terms energy: -80.122165
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -203.198908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.198908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.198908 (E_RNA)
where:
Base-Base interactions energy: -140.174
where: short stacking energy: -65.202
Base-Backbone interact. energy: 0.285
local terms energy: -63.310167
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -205.556174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.556174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.556174 (E_RNA)
where:
Base-Base interactions energy: -126.952
where: short stacking energy: -59.339
Base-Backbone interact. energy: -0.112
local terms energy: -78.491808
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -16.828
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: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -124.252640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.252640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.252640 (E_RNA)
where:
Base-Base interactions energy: -57.253
where: short stacking energy: -27.032
Base-Backbone interact. energy: -0.037
local terms energy: -66.962740
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -131.007484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.007484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.007484 (E_RNA)
where:
Base-Base interactions energy: -67.220
where: short stacking energy: -34.828
Base-Backbone interact. energy: -0.164
local terms energy: -63.623742
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -1.592
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: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -82.522339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.522339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.522339 (E_RNA)
where:
Base-Base interactions energy: -23.618
where: short stacking energy: -21.111
Base-Backbone interact. energy: -0.104
local terms energy: -58.799947
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -99.043339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.043339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.043339 (E_RNA)
where:
Base-Base interactions energy: -57.964
where: short stacking energy: -16.775
Base-Backbone interact. energy: -0.255
local terms energy: -40.823778
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -0.152
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: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -80.951631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951631 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -29.332
Base-Backbone interact. energy: -0.062
local terms energy: -44.083235
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -7.496
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -2.168
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: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -230.220952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.220952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.220952 (E_RNA)
where:
Base-Base interactions energy: -150.828
where: short stacking energy: -71.370
Base-Backbone interact. energy: -0.011
local terms energy: -79.382023
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -216.170184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170184 (E_RNA)
where:
Base-Base interactions energy: -141.121
where: short stacking energy: -57.866
Base-Backbone interact. energy: -0.084
local terms energy: -74.964684
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -222.937763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.937763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.937763 (E_RNA)
where:
Base-Base interactions energy: -146.837
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.514
local terms energy: -75.586956
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -206.506394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.506394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.506394 (E_RNA)
where:
Base-Base interactions energy: -133.379
where: short stacking energy: -60.391
Base-Backbone interact. energy: 0.600
local terms energy: -73.727338
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -11.902
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: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -190.477357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.477357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.477357 (E_RNA)
where:
Base-Base interactions energy: -129.229
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.198
local terms energy: -61.050248
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -9.696
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: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -133.783929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.783929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.783929 (E_RNA)
where:
Base-Base interactions energy: -80.814
where: short stacking energy: -47.706
Base-Backbone interact. energy: -1.193
local terms energy: -51.776489
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -144.118649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.118649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.118649 (E_RNA)
where:
Base-Base interactions energy: -71.669
where: short stacking energy: -35.110
Base-Backbone interact. energy: -0.028
local terms energy: -72.422054
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -8.020
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: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -95.354630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354630 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -35.759
Base-Backbone interact. energy: -0.059
local terms energy: -59.536838
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -85.343914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343914 (E_RNA)
where:
Base-Base interactions energy: -37.795
where: short stacking energy: -26.262
Base-Backbone interact. energy: -0.207
local terms energy: -47.342100
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -8.159
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -82.678965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.678965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.678965 (E_RNA)
where:
Base-Base interactions energy: -25.272
where: short stacking energy: -24.955
Base-Backbone interact. energy: -0.197
local terms energy: -57.209755
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -226.543079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.543079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.543079 (E_RNA)
where:
Base-Base interactions energy: -148.835
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.001
local terms energy: -77.706874
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -233.407674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.407674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.407674 (E_RNA)
where:
Base-Base interactions energy: -155.279
where: short stacking energy: -70.450
Base-Backbone interact. energy: -2.129
local terms energy: -75.999404
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -209.581541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.581541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.581541 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -63.185
Base-Backbone interact. energy: -0.218
local terms energy: -65.822397
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -187.607236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.607236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.607236 (E_RNA)
where:
Base-Base interactions energy: -116.046
where: short stacking energy: -49.335
Base-Backbone interact. energy: 1.601
local terms energy: -73.162140
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -214.822765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.822765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.822765 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.429
local terms energy: -67.752013
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -164.812003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.812003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.812003 (E_RNA)
where:
Base-Base interactions energy: -100.371
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.754
local terms energy: -63.687139
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -129.810701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.810701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.810701 (E_RNA)
where:
Base-Base interactions energy: -69.500
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.204
local terms energy: -60.106058
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -91.714978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.714978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.714978 (E_RNA)
where:
Base-Base interactions energy: -31.510
where: short stacking energy: -31.510
Base-Backbone interact. energy: -0.170
local terms energy: -60.034148
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -0.259
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: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -87.965154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.965154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.965154 (E_RNA)
where:
Base-Base interactions energy: -28.012
where: short stacking energy: -27.254
Base-Backbone interact. energy: -0.209
local terms energy: -59.743998
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -95.113133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.113133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.113133 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -27.316
Base-Backbone interact. energy: 0.984
local terms energy: -51.530275
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -240.402028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.402028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.402028 (E_RNA)
where:
Base-Base interactions energy: -156.854
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.260
local terms energy: -83.288831
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -224.659631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.659631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.659631 (E_RNA)
where:
Base-Base interactions energy: -148.870
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.456
local terms energy: -75.333474
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -229.477064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.477064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.477064 (E_RNA)
where:
Base-Base interactions energy: -147.409
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.236
local terms energy: -81.832144
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -218.524103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.524103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.524103 (E_RNA)
where:
Base-Base interactions energy: -148.443
where: short stacking energy: -65.686
Base-Backbone interact. energy: -0.249
local terms energy: -69.832809
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -193.366819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.366819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.366819 (E_RNA)
where:
Base-Base interactions energy: -116.745
where: short stacking energy: -57.887
Base-Backbone interact. energy: -0.528
local terms energy: -76.092923
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -157.424458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.424458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.424458 (E_RNA)
where:
Base-Base interactions energy: -97.634
where: short stacking energy: -37.946
Base-Backbone interact. energy: 2.026
local terms energy: -61.816725
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -95.994580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.994580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.994580 (E_RNA)
where:
Base-Base interactions energy: -38.541
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.554
local terms energy: -56.899365
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -13.669
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: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -103.763523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.763523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.763523 (E_RNA)
where:
Base-Base interactions energy: -40.601
where: short stacking energy: -30.877
Base-Backbone interact. energy: -0.079
local terms energy: -63.084060
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -80.753027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.753027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.753027 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -18.895
Base-Backbone interact. energy: 0.127
local terms energy: -45.947227
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: 3.717
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: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -84.612759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.612759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.612759 (E_RNA)
where:
Base-Base interactions energy: -36.333
where: short stacking energy: -29.355
Base-Backbone interact. energy: -0.382
local terms energy: -47.897421
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -232.361443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.361443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.361443 (E_RNA)
where:
Base-Base interactions energy: -151.889
where: short stacking energy: -69.615
Base-Backbone interact. energy: -0.007
local terms energy: -80.465713
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -223.435272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.435272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.435272 (E_RNA)
where:
Base-Base interactions energy: -138.532
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.023
local terms energy: -84.880402
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -227.622191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.622191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.622191 (E_RNA)
where:
Base-Base interactions energy: -142.761
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.104
local terms energy: -84.756855
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -227.436073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.436073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.436073 (E_RNA)
where:
Base-Base interactions energy: -158.514
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.298
local terms energy: -68.623340
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -14.745
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: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -197.189580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.189580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.189580 (E_RNA)
where:
Base-Base interactions energy: -117.130
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.025
local terms energy: -80.034656
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -175.838370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.838370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.838370 (E_RNA)
where:
Base-Base interactions energy: -116.218
where: short stacking energy: -48.101
Base-Backbone interact. energy: -0.024
local terms energy: -59.597030
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -97.275870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.275870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.275870 (E_RNA)
where:
Base-Base interactions energy: -33.529
where: short stacking energy: -32.456
Base-Backbone interact. energy: -0.202
local terms energy: -63.545269
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -2.638
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: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -94.714635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.714635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.714635 (E_RNA)
where:
Base-Base interactions energy: -38.571
where: short stacking energy: -32.960
Base-Backbone interact. energy: 0.587
local terms energy: -56.730566
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -4.172
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: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -84.249849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.249849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.249849 (E_RNA)
where:
Base-Base interactions energy: -28.824
where: short stacking energy: -24.259
Base-Backbone interact. energy: -0.389
local terms energy: -55.037164
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -86.273851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.273851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.273851 (E_RNA)
where:
Base-Base interactions energy: -39.050
where: short stacking energy: -20.020
Base-Backbone interact. energy: -0.066
local terms energy: -47.157755
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: 4.950
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: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -219.463410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.463410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.463410 (E_RNA)
where:
Base-Base interactions energy: -142.943
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.882
local terms energy: -75.637712
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -228.414331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.414331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.414331 (E_RNA)
where:
Base-Base interactions energy: -152.976
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.032
local terms energy: -75.405650
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -18.059
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: 22
Temperature: 1.000000
Total energy: -220.073827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.073827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.073827 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.391
local terms energy: -70.873611
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -218.427949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.427949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.427949 (E_RNA)
where:
Base-Base interactions energy: -132.023
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.172
local terms energy: -86.232804
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -204.224483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.224483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.224483 (E_RNA)
where:
Base-Base interactions energy: -137.402
where: short stacking energy: -65.173
Base-Backbone interact. energy: -0.118
local terms energy: -66.704722
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -170.314825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.314825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.314825 (E_RNA)
where:
Base-Base interactions energy: -104.232
where: short stacking energy: -47.763
Base-Backbone interact. energy: -0.264
local terms energy: -65.819212
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -112.728929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.728929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.728929 (E_RNA)
where:
Base-Base interactions energy: -54.983
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.038
local terms energy: -57.708140
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -95.303356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303356 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -22.701
Base-Backbone interact. energy: -0.454
local terms energy: -62.590731
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -83.814315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.814315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.814315 (E_RNA)
where:
Base-Base interactions energy: -30.122
where: short stacking energy: -26.027
Base-Backbone interact. energy: 0.709
local terms energy: -54.400789
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -92.088125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088125 (E_RNA)
where:
Base-Base interactions energy: -39.532
where: short stacking energy: -32.347
Base-Backbone interact. energy: 0.315
local terms energy: -52.870700
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -2.607
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: 23
Temperature: 0.900000
Total energy: -228.661807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.661807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.661807 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -63.054
Base-Backbone interact. energy: -0.039
local terms energy: -80.766811
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -16.152
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: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -238.949235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.949235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.949235 (E_RNA)
where:
Base-Base interactions energy: -158.144
where: short stacking energy: -67.654
Base-Backbone interact. energy: -0.372
local terms energy: -80.432876
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.394
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: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -209.954762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.954762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.954762 (E_RNA)
where:
Base-Base interactions energy: -141.028
where: short stacking energy: -51.824
Base-Backbone interact. energy: 1.669
local terms energy: -70.595679
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -14.256
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -208.908766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.908766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.908766 (E_RNA)
where:
Base-Base interactions energy: -132.700
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.238
local terms energy: -75.970342
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -20.585
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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -199.490660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.490660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.490660 (E_RNA)
where:
Base-Base interactions energy: -122.852
where: short stacking energy: -64.042
Base-Backbone interact. energy: 0.493
local terms energy: -77.131455
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -177.983927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.983927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.983927 (E_RNA)
where:
Base-Base interactions energy: -105.099
where: short stacking energy: -41.421
Base-Backbone interact. energy: -0.584
local terms energy: -72.300887
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -102.941698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.941698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.941698 (E_RNA)
where:
Base-Base interactions energy: -45.188
where: short stacking energy: -29.083
Base-Backbone interact. energy: -0.280
local terms energy: -57.473788
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -4.823
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: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -83.600505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600505 (E_RNA)
where:
Base-Base interactions energy: -24.072
where: short stacking energy: -20.261
Base-Backbone interact. energy: -0.267
local terms energy: -59.262456
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.212
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: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -93.987350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.987350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.987350 (E_RNA)
where:
Base-Base interactions energy: -38.262
where: short stacking energy: -25.835
Base-Backbone interact. energy: -0.253
local terms energy: -55.472471
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -94.618533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.618533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.618533 (E_RNA)
where:
Base-Base interactions energy: -38.249
where: short stacking energy: -38.014
Base-Backbone interact. energy: 1.363
local terms energy: -57.732724
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -231.828981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.828981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.828981 (E_RNA)
where:
Base-Base interactions energy: -149.401
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.052
local terms energy: -82.375857
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -220.993726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.993726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.993726 (E_RNA)
where:
Base-Base interactions energy: -136.346
where: short stacking energy: -55.780
Base-Backbone interact. energy: -0.003
local terms energy: -84.644134
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -19.458
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: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -229.061649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.061649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.061649 (E_RNA)
where:
Base-Base interactions energy: -153.706
where: short stacking energy: -78.131
Base-Backbone interact. energy: -0.017
local terms energy: -75.339462
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -212.848338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.848338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.848338 (E_RNA)
where:
Base-Base interactions energy: -137.906
where: short stacking energy: -57.795
Base-Backbone interact. energy: -0.941
local terms energy: -74.001054
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -192.326461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.326461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.326461 (E_RNA)
where:
Base-Base interactions energy: -113.835
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.162
local terms energy: -78.329559
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -202.706373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.706373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.706373 (E_RNA)
where:
Base-Base interactions energy: -133.442
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.015
local terms energy: -69.249288
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -96.697566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.697566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.697566 (E_RNA)
where:
Base-Base interactions energy: -34.333
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.079
local terms energy: -62.285619
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -86.986842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.986842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.986842 (E_RNA)
where:
Base-Base interactions energy: -33.879
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.170
local terms energy: -52.937759
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: 0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -86.619438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.619438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.619438 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -31.878
Base-Backbone interact. energy: -0.214
local terms energy: -47.849062
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -8.860
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -83.079936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.079936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.079936 (E_RNA)
where:
Base-Base interactions energy: -30.834
where: short stacking energy: -27.469
Base-Backbone interact. energy: 0.185
local terms energy: -52.430982
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -240.434968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.434968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.434968 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -77.663
Base-Backbone interact. energy: 0.432
local terms energy: -88.278735
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -238.030464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.030464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.030464 (E_RNA)
where:
Base-Base interactions energy: -151.170
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.128
local terms energy: -86.733128
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -221.422588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.422588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.422588 (E_RNA)
where:
Base-Base interactions energy: -139.068
where: short stacking energy: -53.193
Base-Backbone interact. energy: -0.517
local terms energy: -81.836701
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -210.162555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.162555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.162555 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.159
local terms energy: -78.846719
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -188.868006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.868006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.868006 (E_RNA)
where:
Base-Base interactions energy: -114.387
where: short stacking energy: -57.266
Base-Backbone interact. energy: -0.352
local terms energy: -74.128980
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -170.591238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.591238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.591238 (E_RNA)
where:
Base-Base interactions energy: -97.478
where: short stacking energy: -39.522
Base-Backbone interact. energy: 0.792
local terms energy: -73.904819
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -13.257
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: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -118.032508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.032508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.032508 (E_RNA)
where:
Base-Base interactions energy: -57.413
where: short stacking energy: -37.618
Base-Backbone interact. energy: -0.397
local terms energy: -60.223372
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -6.457
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: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -92.423023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.423023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.423023 (E_RNA)
where:
Base-Base interactions energy: -44.683
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.091
local terms energy: -47.649843
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -5.688
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: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -100.193635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.193635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.193635 (E_RNA)
where:
Base-Base interactions energy: -44.847
where: short stacking energy: -26.532
Base-Backbone interact. energy: 0.663
local terms energy: -56.010205
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -83.921898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.921898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.921898 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.196
local terms energy: -41.575957
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -2.150
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: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -234.324505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.324505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.324505 (E_RNA)
where:
Base-Base interactions energy: -147.296
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.795
local terms energy: -86.234357
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -18.013
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: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -242.915399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.915399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.915399 (E_RNA)
where:
Base-Base interactions energy: -163.039
where: short stacking energy: -71.564
Base-Backbone interact. energy: -0.596
local terms energy: -79.280194
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -205.307949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.307949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.307949 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -56.137
Base-Backbone interact. energy: 0.666
local terms energy: -74.531205
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -13.217
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: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -219.299874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.299874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.299874 (E_RNA)
where:
Base-Base interactions energy: -137.833
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.087
local terms energy: -81.380162
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -203.698082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.698082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.698082 (E_RNA)
where:
Base-Base interactions energy: -134.548
where: short stacking energy: -54.610
Base-Backbone interact. energy: -0.142
local terms energy: -69.008034
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -163.297716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.297716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.297716 (E_RNA)
where:
Base-Base interactions energy: -100.092
where: short stacking energy: -43.942
Base-Backbone interact. energy: -0.469
local terms energy: -62.736540
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -122.047028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.047028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.047028 (E_RNA)
where:
Base-Base interactions energy: -54.311
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.230
local terms energy: -67.506276
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -94.859579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.859579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.859579 (E_RNA)
where:
Base-Base interactions energy: -33.623
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.269
local terms energy: -60.967404
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -85.051614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.051614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.051614 (E_RNA)
where:
Base-Base interactions energy: -35.217
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.224
local terms energy: -49.610561
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -73.786439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.786439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.786439 (E_RNA)
where:
Base-Base interactions energy: -20.202
where: short stacking energy: -21.033
Base-Backbone interact. energy: -0.103
local terms energy: -53.481181
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: 2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -239.975764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.975764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.975764 (E_RNA)
where:
Base-Base interactions energy: -150.370
where: short stacking energy: -71.677
Base-Backbone interact. energy: -0.345
local terms energy: -89.260610
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -247.985388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.985388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.985388 (E_RNA)
where:
Base-Base interactions energy: -160.419
where: short stacking energy: -69.707
Base-Backbone interact. energy: -0.358
local terms energy: -87.208437
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -203.597466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.597466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.597466 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.204
local terms energy: -80.760943
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -216.233449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.233449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.233449 (E_RNA)
where:
Base-Base interactions energy: -141.218
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.003
local terms energy: -75.012132
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -15.953
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -175.070628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.070628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.070628 (E_RNA)
where:
Base-Base interactions energy: -108.536
where: short stacking energy: -51.859
Base-Backbone interact. energy: -0.073
local terms energy: -66.462278
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -198.699819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.699819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.699819 (E_RNA)
where:
Base-Base interactions energy: -132.595
where: short stacking energy: -52.024
Base-Backbone interact. energy: -1.135
local terms energy: -64.970218
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -92.986156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.986156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.986156 (E_RNA)
where:
Base-Base interactions energy: -37.005
where: short stacking energy: -27.786
Base-Backbone interact. energy: -1.658
local terms energy: -54.322977
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -97.366703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.366703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.366703 (E_RNA)
where:
Base-Base interactions energy: -43.758
where: short stacking energy: -34.582
Base-Backbone interact. energy: -0.118
local terms energy: -53.491040
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -10.344
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: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -86.184634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.184634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.184634 (E_RNA)
where:
Base-Base interactions energy: -23.743
where: short stacking energy: -21.985
Base-Backbone interact. energy: -0.967
local terms energy: -61.474421
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -100.136852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.136852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.136852 (E_RNA)
where:
Base-Base interactions energy: -47.322
where: short stacking energy: -20.666
Base-Backbone interact. energy: 0.622
local terms energy: -53.436469
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -242.948667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.948667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.948667 (E_RNA)
where:
Base-Base interactions energy: -154.918
where: short stacking energy: -81.763
Base-Backbone interact. energy: -0.514
local terms energy: -87.517152
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -20.772
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: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -222.760268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.760268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.760268 (E_RNA)
where:
Base-Base interactions energy: -135.099
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.135
local terms energy: -87.526349
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -21.143
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -218.833665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.833665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.833665 (E_RNA)
where:
Base-Base interactions energy: -133.170
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.180
local terms energy: -85.483902
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -183.577972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.577972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.577972 (E_RNA)
where:
Base-Base interactions energy: -113.981
where: short stacking energy: -49.637
Base-Backbone interact. energy: -0.054
local terms energy: -69.542617
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -11.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -206.271978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.271978 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.953
local terms energy: -70.536092
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -14.373
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: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -176.403974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.403974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.403974 (E_RNA)
where:
Base-Base interactions energy: -108.359
where: short stacking energy: -50.007
Base-Backbone interact. energy: -0.450
local terms energy: -67.595040
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -95.417120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.417120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.417120 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.202
local terms energy: -58.044177
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -103.150075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.150075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.150075 (E_RNA)
where:
Base-Base interactions energy: -48.772
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.457
local terms energy: -53.920887
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -83.938475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.938475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.938475 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -21.561
Base-Backbone interact. energy: 0.577
local terms energy: -51.649342
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -94.756850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.756850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.756850 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -38.250
Base-Backbone interact. energy: -0.166
local terms energy: -54.629144
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -3.712
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -247.148012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.148012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.148012 (E_RNA)
where:
Base-Base interactions energy: -165.281
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.615
local terms energy: -81.252278
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -14.641
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: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -231.651490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.651490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.651490 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -72.313
Base-Backbone interact. energy: -0.109
local terms energy: -94.488284
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -220.325298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.325298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.325298 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.026
local terms energy: -74.940171
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -16.665
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -223.781677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.781677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.781677 (E_RNA)
where:
Base-Base interactions energy: -139.989
where: short stacking energy: -64.648
Base-Backbone interact. energy: -0.257
local terms energy: -83.535282
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -17.401
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: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -186.999227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.999227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.999227 (E_RNA)
where:
Base-Base interactions energy: -120.622
where: short stacking energy: -56.277
Base-Backbone interact. energy: 0.388
local terms energy: -66.765661
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -192.179933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.179933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.179933 (E_RNA)
where:
Base-Base interactions energy: -123.145
where: short stacking energy: -50.374
Base-Backbone interact. energy: -0.005
local terms energy: -69.030285
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -16.587
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: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -97.231492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.231492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.231492 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -25.060
Base-Backbone interact. energy: -0.203
local terms energy: -62.175809
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: 0.209
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: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -88.936825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.936825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.936825 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -24.392
Base-Backbone interact. energy: -1.046
local terms energy: -55.615987
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -5.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -83.560363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.560363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.560363 (E_RNA)
where:
Base-Base interactions energy: -30.711
where: short stacking energy: -30.711
Base-Backbone interact. energy: -0.140
local terms energy: -52.709176
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: 1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.673532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.673532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.673532 (E_RNA)
where:
Base-Base interactions energy: -29.351
where: short stacking energy: -27.898
Base-Backbone interact. energy: -1.080
local terms energy: -52.241987
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: 0.617
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: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -238.687790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.687790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.687790 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.115
local terms energy: -87.100260
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -236.778567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.778567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.778567 (E_RNA)
where:
Base-Base interactions energy: -146.615
where: short stacking energy: -81.800
Base-Backbone interact. energy: -0.000
local terms energy: -90.163092
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -24.510
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: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -225.134068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.134068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.134068 (E_RNA)
where:
Base-Base interactions energy: -145.910
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.819
local terms energy: -78.404962
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -209.886244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.886244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.886244 (E_RNA)
where:
Base-Base interactions energy: -133.685
where: short stacking energy: -53.092
Base-Backbone interact. energy: -0.110
local terms energy: -76.091154
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.542
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: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -194.220356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.220356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.220356 (E_RNA)
where:
Base-Base interactions energy: -126.305
where: short stacking energy: -51.994
Base-Backbone interact. energy: -1.331
local terms energy: -66.584683
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -11.137
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: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -192.466602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.466602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.466602 (E_RNA)
where:
Base-Base interactions energy: -122.552
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.008
local terms energy: -69.906735
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -20.415
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: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -97.586389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586389 (E_RNA)
where:
Base-Base interactions energy: -42.678
where: short stacking energy: -25.082
Base-Backbone interact. energy: -1.393
local terms energy: -53.515681
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -96.307912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.307912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.307912 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -33.240
Base-Backbone interact. energy: -0.239
local terms energy: -56.187022
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -93.388890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.388890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.388890 (E_RNA)
where:
Base-Base interactions energy: -38.923
where: short stacking energy: -37.748
Base-Backbone interact. energy: 0.244
local terms energy: -54.710525
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -5.233
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -83.608005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.608005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.608005 (E_RNA)
where:
Base-Base interactions energy: -33.259
where: short stacking energy: -33.843
Base-Backbone interact. energy: -0.027
local terms energy: -50.321905
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -7.963
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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -228.071518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.071518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.071518 (E_RNA)
where:
Base-Base interactions energy: -146.564
where: short stacking energy: -62.702
Base-Backbone interact. energy: 0.462
local terms energy: -81.969447
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -242.150125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.150125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.150125 (E_RNA)
where:
Base-Base interactions energy: -156.419
where: short stacking energy: -61.241
Base-Backbone interact. energy: -1.508
local terms energy: -84.223242
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -221.486935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.486935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.486935 (E_RNA)
where:
Base-Base interactions energy: -136.463
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.973
local terms energy: -84.050490
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -216.151484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.151484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.151484 (E_RNA)
where:
Base-Base interactions energy: -136.064
where: short stacking energy: -60.696
Base-Backbone interact. energy: -0.300
local terms energy: -79.787491
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -204.217387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.217387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.217387 (E_RNA)
where:
Base-Base interactions energy: -128.992
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.139
local terms energy: -75.086803
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -16.009
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: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -199.788555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.788555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.788555 (E_RNA)
where:
Base-Base interactions energy: -126.257
where: short stacking energy: -59.042
Base-Backbone interact. energy: 1.564
local terms energy: -75.095559
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -97.516118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.516118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.516118 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -38.772
Base-Backbone interact. energy: -1.613
local terms energy: -56.115007
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -99.618424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.618424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.618424 (E_RNA)
where:
Base-Base interactions energy: -41.528
where: short stacking energy: -33.597
Base-Backbone interact. energy: 1.757
local terms energy: -59.847234
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -9.331
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: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -97.723617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.723617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.723617 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -40.309
Base-Backbone interact. energy: -0.047
local terms energy: -57.368102
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -76.642739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.642739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.642739 (E_RNA)
where:
Base-Base interactions energy: -21.374
where: short stacking energy: -22.240
Base-Backbone interact. energy: -0.211
local terms energy: -55.057304
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: 1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -246.852406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.852406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.852406 (E_RNA)
where:
Base-Base interactions energy: -174.637
where: short stacking energy: -64.142
Base-Backbone interact. energy: -0.461
local terms energy: -71.754423
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -212.777520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.777520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.777520 (E_RNA)
where:
Base-Base interactions energy: -134.102
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.829
local terms energy: -77.846122
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -15.946
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: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -234.224579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.224579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.224579 (E_RNA)
where:
Base-Base interactions energy: -158.272
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.463
local terms energy: -75.489024
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -200.038914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.038914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.038914 (E_RNA)
where:
Base-Base interactions energy: -117.700
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.069
local terms energy: -82.270233
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -20.861
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: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -228.679730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.679730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.679730 (E_RNA)
where:
Base-Base interactions energy: -150.273
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.046
local terms energy: -78.360426
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -203.164043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.164043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.164043 (E_RNA)
where:
Base-Base interactions energy: -133.357
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.381
local terms energy: -69.426329
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -99.074417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.074417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.074417 (E_RNA)
where:
Base-Base interactions energy: -48.538
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.232
local terms energy: -50.304759
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -2.207
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: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -94.194474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.194474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.194474 (E_RNA)
where:
Base-Base interactions energy: -35.090
where: short stacking energy: -32.663
Base-Backbone interact. energy: -0.086
local terms energy: -59.018556
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -7.643
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -91.409514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.409514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.409514 (E_RNA)
where:
Base-Base interactions energy: -34.821
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.004
local terms energy: -56.583839
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -5.133
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: 32
Temperature: 1.350000
Total energy: -77.993689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.993689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.993689 (E_RNA)
where:
Base-Base interactions energy: -23.728
where: short stacking energy: -23.071
Base-Backbone interact. energy: 3.046
local terms energy: -57.311947
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -241.962555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.962555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.962555 (E_RNA)
where:
Base-Base interactions energy: -158.180
where: short stacking energy: -72.862
Base-Backbone interact. energy: -0.293
local terms energy: -83.489603
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -222.065473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.065473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.065473 (E_RNA)
where:
Base-Base interactions energy: -138.090
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.597
local terms energy: -83.378482
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -221.103664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.103664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.103664 (E_RNA)
where:
Base-Base interactions energy: -140.253
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.008
local terms energy: -80.842935
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -216.350642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.350642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.350642 (E_RNA)
where:
Base-Base interactions energy: -136.137
where: short stacking energy: -61.065
Base-Backbone interact. energy: -0.013
local terms energy: -80.199984
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -20.775
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: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -215.072825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.072825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.072825 (E_RNA)
where:
Base-Base interactions energy: -142.569
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.057
local terms energy: -72.447543
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -14.466
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: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -187.152489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.152489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.152489 (E_RNA)
where:
Base-Base interactions energy: -115.194
where: short stacking energy: -51.208
Base-Backbone interact. energy: -0.233
local terms energy: -71.726112
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -17.488
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: 33
Temperature: 1.200000
Total energy: -113.945577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945577 (E_RNA)
where:
Base-Base interactions energy: -50.739
where: short stacking energy: -37.823
Base-Backbone interact. energy: 0.709
local terms energy: -63.914919
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -88.189628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.189628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.189628 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.188
local terms energy: -55.368666
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -6.817
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: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -89.386230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.386230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.386230 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -35.514
Base-Backbone interact. energy: 1.058
local terms energy: -54.930255
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -86.329877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329877 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -22.519
Base-Backbone interact. energy: 1.105
local terms energy: -47.856395
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -232.576179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.576179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.576179 (E_RNA)
where:
Base-Base interactions energy: -144.209
where: short stacking energy: -74.290
Base-Backbone interact. energy: 0.523
local terms energy: -88.890846
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -238.294872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.294872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.294872 (E_RNA)
where:
Base-Base interactions energy: -162.022
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.733
local terms energy: -75.540285
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -204.875046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.875046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.875046 (E_RNA)
where:
Base-Base interactions energy: -126.290
where: short stacking energy: -57.121
Base-Backbone interact. energy: -0.369
local terms energy: -78.216233
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -215.760937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.760937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.760937 (E_RNA)
where:
Base-Base interactions energy: -141.778
where: short stacking energy: -56.266
Base-Backbone interact. energy: -0.067
local terms energy: -73.916246
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -16.160
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: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -202.857818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.857818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.857818 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -69.255
Base-Backbone interact. energy: 0.628
local terms energy: -76.370647
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -204.115363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.115363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.115363 (E_RNA)
where:
Base-Base interactions energy: -132.295
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.047
local terms energy: -71.772830
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -91.073175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.073175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.073175 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -35.131
Base-Backbone interact. energy: -0.399
local terms energy: -55.543186
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -89.987183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.987183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.987183 (E_RNA)
where:
Base-Base interactions energy: -33.463
where: short stacking energy: -33.463
Base-Backbone interact. energy: 0.802
local terms energy: -57.326496
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -3.062
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -85.249386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.249386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.249386 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -29.030
Base-Backbone interact. energy: 0.196
local terms energy: -47.272134
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -121.529816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.529816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.529816 (E_RNA)
where:
Base-Base interactions energy: -72.797
where: short stacking energy: -36.151
Base-Backbone interact. energy: -0.113
local terms energy: -48.619539
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.836
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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -231.507085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.507085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.507085 (E_RNA)
where:
Base-Base interactions energy: -151.034
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.165
local terms energy: -80.307670
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -216.642519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.642519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.642519 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.056
local terms energy: -86.292294
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -223.055096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.055096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.055096 (E_RNA)
where:
Base-Base interactions energy: -148.322
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.135
local terms energy: -74.597892
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -18.044
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: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -220.046776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.046776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.046776 (E_RNA)
where:
Base-Base interactions energy: -141.254
where: short stacking energy: -65.024
Base-Backbone interact. energy: -2.130
local terms energy: -76.662706
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -197.688587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.688587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.688587 (E_RNA)
where:
Base-Base interactions energy: -120.894
where: short stacking energy: -56.226
Base-Backbone interact. energy: -0.485
local terms energy: -76.309499
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -14.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -192.914118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.914118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.914118 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -54.905
Base-Backbone interact. energy: -0.636
local terms energy: -70.209193
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -102.601822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.601822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.601822 (E_RNA)
where:
Base-Base interactions energy: -44.980
where: short stacking energy: -39.822
Base-Backbone interact. energy: -0.056
local terms energy: -57.565458
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -7.744
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: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -87.115720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.115720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.115720 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -31.790
Base-Backbone interact. energy: 0.081
local terms energy: -55.307048
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -104.173282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.173282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.173282 (E_RNA)
where:
Base-Base interactions energy: -48.527
where: short stacking energy: -39.973
Base-Backbone interact. energy: -0.921
local terms energy: -54.724997
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -8.066
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: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -121.161705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.161705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.161705 (E_RNA)
where:
Base-Base interactions energy: -65.332
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.078
local terms energy: -55.750884
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -235.573086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.573086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.573086 (E_RNA)
where:
Base-Base interactions energy: -146.095
where: short stacking energy: -72.512
Base-Backbone interact. energy: -0.092
local terms energy: -89.385541
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -248.672515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.672515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.672515 (E_RNA)
where:
Base-Base interactions energy: -169.843
where: short stacking energy: -74.717
Base-Backbone interact. energy: -0.123
local terms energy: -78.706164
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -213.763134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.763134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.763134 (E_RNA)
where:
Base-Base interactions energy: -139.120
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.162
local terms energy: -74.481332
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -197.435463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.435463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.435463 (E_RNA)
where:
Base-Base interactions energy: -127.524
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.121
local terms energy: -69.790281
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -200.500250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.500250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.500250 (E_RNA)
where:
Base-Base interactions energy: -129.263
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.119
local terms energy: -71.118500
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -193.523873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.523873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.523873 (E_RNA)
where:
Base-Base interactions energy: -125.440
where: short stacking energy: -49.438
Base-Backbone interact. energy: 1.195
local terms energy: -69.279388
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -99.356285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.356285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.356285 (E_RNA)
where:
Base-Base interactions energy: -44.422
where: short stacking energy: -31.563
Base-Backbone interact. energy: 1.764
local terms energy: -56.697680
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -8.261
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -90.468405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.468405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.468405 (E_RNA)
where:
Base-Base interactions energy: -35.030
where: short stacking energy: -28.709
Base-Backbone interact. energy: 0.276
local terms energy: -55.714128
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.323
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: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -97.007982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.007982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.007982 (E_RNA)
where:
Base-Base interactions energy: -50.362
where: short stacking energy: -23.083
Base-Backbone interact. energy: -0.264
local terms energy: -46.382300
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -11.701
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: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -73.866035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.866035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.866035 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -18.657
Base-Backbone interact. energy: -0.165
local terms energy: -47.476808
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -237.845492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.845492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.845492 (E_RNA)
where:
Base-Base interactions energy: -154.675
where: short stacking energy: -73.120
Base-Backbone interact. energy: -1.274
local terms energy: -81.895951
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -225.063356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.063356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.063356 (E_RNA)
where:
Base-Base interactions energy: -149.624
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.854
local terms energy: -74.585145
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -223.539229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.539229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.539229 (E_RNA)
where:
Base-Base interactions energy: -140.121
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.063
local terms energy: -83.354258
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -210.950643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.950643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.950643 (E_RNA)
where:
Base-Base interactions energy: -132.318
where: short stacking energy: -59.159
Base-Backbone interact. energy: 0.435
local terms energy: -79.067875
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -14.360
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: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -202.468257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.468257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.468257 (E_RNA)
where:
Base-Base interactions energy: -124.930
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.105
local terms energy: -77.433451
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -185.167101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.167101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.167101 (E_RNA)
where:
Base-Base interactions energy: -123.657
where: short stacking energy: -56.709
Base-Backbone interact. energy: -0.140
local terms energy: -61.369953
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -9.048
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -101.429720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.429720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.429720 (E_RNA)
where:
Base-Base interactions energy: -39.893
where: short stacking energy: -39.893
Base-Backbone interact. energy: -0.328
local terms energy: -61.209246
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -95.576759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.576759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.576759 (E_RNA)
where:
Base-Base interactions energy: -37.476
where: short stacking energy: -25.560
Base-Backbone interact. energy: -0.724
local terms energy: -57.376708
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -5.936
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: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -99.101832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.101832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.101832 (E_RNA)
where:
Base-Base interactions energy: -39.979
where: short stacking energy: -34.465
Base-Backbone interact. energy: 0.276
local terms energy: -59.399281
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -78.887266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.887266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.887266 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -22.905
Base-Backbone interact. energy: -0.546
local terms energy: -48.359337
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: 5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -238.388231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.388231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.388231 (E_RNA)
where:
Base-Base interactions energy: -160.353
where: short stacking energy: -75.251
Base-Backbone interact. energy: -0.036
local terms energy: -77.999022
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -20.759
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: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -219.684235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.684235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.684235 (E_RNA)
where:
Base-Base interactions energy: -135.011
where: short stacking energy: -66.353
Base-Backbone interact. energy: -0.008
local terms energy: -84.665482
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -22.063
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -207.318947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.318947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.318947 (E_RNA)
where:
Base-Base interactions energy: -127.669
where: short stacking energy: -72.483
Base-Backbone interact. energy: -0.099
local terms energy: -79.550934
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -213.966292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.966292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.966292 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -46.176
Base-Backbone interact. energy: -0.166
local terms energy: -75.954031
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -193.676192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.676192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.676192 (E_RNA)
where:
Base-Base interactions energy: -128.120
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.341
local terms energy: -65.216093
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -9.984
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: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -181.974130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.974130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.974130 (E_RNA)
where:
Base-Base interactions energy: -113.757
where: short stacking energy: -55.526
Base-Backbone interact. energy: -0.306
local terms energy: -67.910869
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -89.985481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.985481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.985481 (E_RNA)
where:
Base-Base interactions energy: -33.788
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.190
local terms energy: -56.008089
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -6.452
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: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -94.635024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.635024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.635024 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -37.481
Base-Backbone interact. energy: -0.184
local terms energy: -56.409389
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -8.176
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: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -86.250450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.250450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.250450 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -29.741
Base-Backbone interact. energy: -1.637
local terms energy: -53.602737
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -7.695
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: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -81.967157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.967157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.967157 (E_RNA)
where:
Base-Base interactions energy: -24.756
where: short stacking energy: -18.103
Base-Backbone interact. energy: -0.731
local terms energy: -56.479640
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: 2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -234.616111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.616111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.616111 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.521
local terms energy: -80.018502
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -19.338
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: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -222.738476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738476 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.027
local terms energy: -83.967586
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -19.416
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: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -215.825036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.825036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.825036 (E_RNA)
where:
Base-Base interactions energy: -142.211
where: short stacking energy: -66.022
Base-Backbone interact. energy: -1.380
local terms energy: -72.233684
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -21.310
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: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -218.567433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.567433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.567433 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -59.079
Base-Backbone interact. energy: -0.577
local terms energy: -71.823484
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -191.300940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.300940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.300940 (E_RNA)
where:
Base-Base interactions energy: -126.837
where: short stacking energy: -49.180
Base-Backbone interact. energy: -0.166
local terms energy: -64.298222
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -10.121
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: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -174.229539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.229539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.229539 (E_RNA)
where:
Base-Base interactions energy: -113.971
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.091
local terms energy: -60.166849
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -108.076680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.076680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.076680 (E_RNA)
where:
Base-Base interactions energy: -47.020
where: short stacking energy: -34.494
Base-Backbone interact. energy: -0.135
local terms energy: -60.921788
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -6.964
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: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -93.156103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.156103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.156103 (E_RNA)
where:
Base-Base interactions energy: -42.463
where: short stacking energy: -21.498
Base-Backbone interact. energy: -1.085
local terms energy: -49.608057
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: 1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -103.482391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.482391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.482391 (E_RNA)
where:
Base-Base interactions energy: -48.682
where: short stacking energy: -24.009
Base-Backbone interact. energy: -0.646
local terms energy: -54.154201
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -98.902256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.902256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.902256 (E_RNA)
where:
Base-Base interactions energy: -47.454
where: short stacking energy: -45.539
Base-Backbone interact. energy: -0.149
local terms energy: -51.298360
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -240.540562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.540562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.540562 (E_RNA)
where:
Base-Base interactions energy: -156.036
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.218
local terms energy: -84.286202
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -24.228
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: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -234.819761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.819761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.819761 (E_RNA)
where:
Base-Base interactions energy: -156.089
where: short stacking energy: -67.525
Base-Backbone interact. energy: -0.602
local terms energy: -78.129298
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -215.025355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.025355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.025355 (E_RNA)
where:
Base-Base interactions energy: -136.250
where: short stacking energy: -70.809
Base-Backbone interact. energy: 0.968
local terms energy: -79.742775
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -221.996140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.996140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.996140 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -62.117
Base-Backbone interact. energy: -0.024
local terms energy: -83.724701
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -197.870683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.870683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.870683 (E_RNA)
where:
Base-Base interactions energy: -126.640
where: short stacking energy: -70.842
Base-Backbone interact. energy: -0.101
local terms energy: -71.129831
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -192.382372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.382372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.382372 (E_RNA)
where:
Base-Base interactions energy: -122.406
where: short stacking energy: -57.311
Base-Backbone interact. energy: 0.371
local terms energy: -70.347899
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -91.858585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.858585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.858585 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -36.201
Base-Backbone interact. energy: -0.176
local terms energy: -55.481828
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -85.280391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.280391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.280391 (E_RNA)
where:
Base-Base interactions energy: -24.923
where: short stacking energy: -24.923
Base-Backbone interact. energy: 0.105
local terms energy: -60.462341
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -2.581
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -86.924915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.924915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.924915 (E_RNA)
where:
Base-Base interactions energy: -31.573
where: short stacking energy: -25.874
Base-Backbone interact. energy: -0.277
local terms energy: -55.075044
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -8.515
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: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -80.684551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.684551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.684551 (E_RNA)
where:
Base-Base interactions energy: -25.386
where: short stacking energy: -20.807
Base-Backbone interact. energy: -0.183
local terms energy: -55.115676
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: 0.405
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: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -233.010455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.010455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.010455 (E_RNA)
where:
Base-Base interactions energy: -156.467
where: short stacking energy: -74.188
Base-Backbone interact. energy: -0.399
local terms energy: -76.143998
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -227.559918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.559918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.559918 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -70.870
Base-Backbone interact. energy: -0.001
local terms energy: -83.348426
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -225.423520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.423520 (E_RNA)
where:
Base-Base interactions energy: -150.343
where: short stacking energy: -64.776
Base-Backbone interact. energy: -1.075
local terms energy: -74.005277
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -14.597
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -213.075091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.075091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.075091 (E_RNA)
where:
Base-Base interactions energy: -137.421
where: short stacking energy: -57.513
Base-Backbone interact. energy: -0.237
local terms energy: -75.416819
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -17.931
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: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -195.869350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.869350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.869350 (E_RNA)
where:
Base-Base interactions energy: -122.910
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.120
local terms energy: -72.839748
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -206.143913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.143913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.143913 (E_RNA)
where:
Base-Base interactions energy: -128.253
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.166
local terms energy: -77.725520
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -88.292725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292725 (E_RNA)
where:
Base-Base interactions energy: -32.944
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.122
local terms energy: -55.226977
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: 0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -83.141625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.141625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.141625 (E_RNA)
where:
Base-Base interactions energy: -21.990
where: short stacking energy: -18.565
Base-Backbone interact. energy: 0.246
local terms energy: -61.397729
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: 0.118
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -79.984102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.984102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.984102 (E_RNA)
where:
Base-Base interactions energy: -28.519
where: short stacking energy: -25.000
Base-Backbone interact. energy: -0.300
local terms energy: -51.165014
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -6.436
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: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -85.516063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.516063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.516063 (E_RNA)
where:
Base-Base interactions energy: -30.990
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.005
local terms energy: -54.520483
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -5.144
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -239.313707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.313707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.313707 (E_RNA)
where:
Base-Base interactions energy: -157.706
where: short stacking energy: -71.922
Base-Backbone interact. energy: -0.610
local terms energy: -80.998050
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -19.032
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: 42
Temperature: 0.950000
Total energy: -217.009183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.009183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.009183 (E_RNA)
where:
Base-Base interactions energy: -137.032
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.224
local terms energy: -79.753401
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -218.225491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.225491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.225491 (E_RNA)
where:
Base-Base interactions energy: -138.208
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.008
local terms energy: -80.009542
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -203.166663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.166663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.166663 (E_RNA)
where:
Base-Base interactions energy: -120.124
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.292
local terms energy: -82.751201
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -21.259
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: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -198.719840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.719840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.719840 (E_RNA)
where:
Base-Base interactions energy: -130.416
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.002
local terms energy: -68.302003
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -187.411331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.411331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.411331 (E_RNA)
where:
Base-Base interactions energy: -110.867
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.656
local terms energy: -75.888724
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -84.144872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.144872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.144872 (E_RNA)
where:
Base-Base interactions energy: -26.789
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.109
local terms energy: -57.246650
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -10.796
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: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -90.056646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.056646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.056646 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -24.917
Base-Backbone interact. energy: -0.242
local terms energy: -55.951265
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -79.491400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.491400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.491400 (E_RNA)
where:
Base-Base interactions energy: -19.805
where: short stacking energy: -20.641
Base-Backbone interact. energy: -0.769
local terms energy: -58.917232
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -80.827940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.827940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.827940 (E_RNA)
where:
Base-Base interactions energy: -40.788
where: short stacking energy: -34.629
Base-Backbone interact. energy: -0.152
local terms energy: -39.888603
where:
bonds (distance) C4'-P energy: -6.056
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -238.522558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.522558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.522558 (E_RNA)
where:
Base-Base interactions energy: -153.848
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.105
local terms energy: -84.569995
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -229.565745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.565745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.565745 (E_RNA)
where:
Base-Base interactions energy: -146.500
where: short stacking energy: -69.806
Base-Backbone interact. energy: -0.003
local terms energy: -83.062793
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -21.206
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: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -219.318474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.318474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.318474 (E_RNA)
where:
Base-Base interactions energy: -139.499
where: short stacking energy: -68.074
Base-Backbone interact. energy: -0.723
local terms energy: -79.095900
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -209.748506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.748506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.748506 (E_RNA)
where:
Base-Base interactions energy: -128.888
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.587
local terms energy: -80.273305
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -197.708334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.708334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.708334 (E_RNA)
where:
Base-Base interactions energy: -130.937
where: short stacking energy: -55.618
Base-Backbone interact. energy: -0.120
local terms energy: -66.651445
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -163.535681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.535681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.535681 (E_RNA)
where:
Base-Base interactions energy: -100.358
where: short stacking energy: -48.953
Base-Backbone interact. energy: -0.057
local terms energy: -63.120020
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -107.735824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.735824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.735824 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.477
local terms energy: -62.868773
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -8.441
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: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -95.247127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247127 (E_RNA)
where:
Base-Base interactions energy: -37.620
where: short stacking energy: -37.620
Base-Backbone interact. energy: -0.031
local terms energy: -57.596407
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -75.816234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.816234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.816234 (E_RNA)
where:
Base-Base interactions energy: -24.496
where: short stacking energy: -22.221
Base-Backbone interact. energy: -0.235
local terms energy: -51.084347
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.543
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: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -86.734722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.734722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.734722 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -4.832
Base-Backbone interact. energy: -0.891
local terms energy: -57.012797
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: 1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -229.251378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.251378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.251378 (E_RNA)
where:
Base-Base interactions energy: -152.193
where: short stacking energy: -60.926
Base-Backbone interact. energy: 0.175
local terms energy: -77.232724
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -230.768275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.768275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.768275 (E_RNA)
where:
Base-Base interactions energy: -150.164
where: short stacking energy: -64.924
Base-Backbone interact. energy: 0.371
local terms energy: -80.975122
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -217.597842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.597842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.597842 (E_RNA)
where:
Base-Base interactions energy: -131.310
where: short stacking energy: -74.785
Base-Backbone interact. energy: -0.022
local terms energy: -86.266068
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -25.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -197.626635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.626635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.626635 (E_RNA)
where:
Base-Base interactions energy: -121.549
where: short stacking energy: -64.293
Base-Backbone interact. energy: -0.055
local terms energy: -76.022887
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -202.323703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.323703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.323703 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -54.217
Base-Backbone interact. energy: -0.239
local terms energy: -79.814774
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -181.651621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.651621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.651621 (E_RNA)
where:
Base-Base interactions energy: -122.832
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.423
local terms energy: -58.396068
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -5.814
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -90.974732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974732 (E_RNA)
where:
Base-Base interactions energy: -31.891
where: short stacking energy: -23.182
Base-Backbone interact. energy: -0.156
local terms energy: -58.927736
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -102.100721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.100721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.100721 (E_RNA)
where:
Base-Base interactions energy: -40.085
where: short stacking energy: -40.085
Base-Backbone interact. energy: 1.680
local terms energy: -63.695597
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -81.434994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.434994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.434994 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -18.718
Base-Backbone interact. energy: -0.458
local terms energy: -52.194922
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -12.009
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: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -90.331096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331096 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.180
local terms energy: -46.392600
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: 2.399
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -241.494199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.494199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.494199 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -76.397
Base-Backbone interact. energy: -0.073
local terms energy: -84.834787
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -227.389418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.389418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.389418 (E_RNA)
where:
Base-Base interactions energy: -142.557
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.257
local terms energy: -84.575807
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -226.442423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.442423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.442423 (E_RNA)
where:
Base-Base interactions energy: -145.900
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.027
local terms energy: -80.515302
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -213.753847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.753847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.753847 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -55.924
Base-Backbone interact. energy: -0.019
local terms energy: -85.221854
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -201.502166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.502166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.502166 (E_RNA)
where:
Base-Base interactions energy: -119.737
where: short stacking energy: -67.854
Base-Backbone interact. energy: -0.374
local terms energy: -81.390727
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -22.094
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: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -203.521130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.521130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.521130 (E_RNA)
where:
Base-Base interactions energy: -128.113
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.783
local terms energy: -74.624530
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -111.636070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.636070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.636070 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -37.218
Base-Backbone interact. energy: 0.166
local terms energy: -70.611329
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -106.820280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.820280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.820280 (E_RNA)
where:
Base-Base interactions energy: -50.631
where: short stacking energy: -38.835
Base-Backbone interact. energy: -0.351
local terms energy: -55.838639
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -9.560
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -89.413026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.413026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.413026 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -30.294
Base-Backbone interact. energy: -0.162
local terms energy: -57.038796
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -86.116452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.116452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.116452 (E_RNA)
where:
Base-Base interactions energy: -37.740
where: short stacking energy: -32.410
Base-Backbone interact. energy: -1.343
local terms energy: -47.033293
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -232.801496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.801496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.801496 (E_RNA)
where:
Base-Base interactions energy: -156.550
where: short stacking energy: -78.161
Base-Backbone interact. energy: -0.116
local terms energy: -76.134652
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -237.581318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.581318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.581318 (E_RNA)
where:
Base-Base interactions energy: -162.957
where: short stacking energy: -71.739
Base-Backbone interact. energy: -1.300
local terms energy: -73.323674
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -217.586970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.586970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.586970 (E_RNA)
where:
Base-Base interactions energy: -131.428
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.132
local terms energy: -86.026643
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -203.796349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796349 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -72.757
Base-Backbone interact. energy: -1.120
local terms energy: -78.066095
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -21.997
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: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -210.650059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.650059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.650059 (E_RNA)
where:
Base-Base interactions energy: -127.091
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.168
local terms energy: -83.391148
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -188.258088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.258088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.258088 (E_RNA)
where:
Base-Base interactions energy: -115.803
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.760
local terms energy: -71.694410
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -127.082475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.082475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.082475 (E_RNA)
where:
Base-Base interactions energy: -67.090
where: short stacking energy: -43.853
Base-Backbone interact. energy: -0.419
local terms energy: -59.573474
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -8.441
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: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -94.286692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.286692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.286692 (E_RNA)
where:
Base-Base interactions energy: -34.728
where: short stacking energy: -34.728
Base-Backbone interact. energy: -0.012
local terms energy: -59.546311
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -10.790
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: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -86.897557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.897557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.897557 (E_RNA)
where:
Base-Base interactions energy: -24.468
where: short stacking energy: -24.468
Base-Backbone interact. energy: -0.922
local terms energy: -61.507630
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -85.573636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.573636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.573636 (E_RNA)
where:
Base-Base interactions energy: -28.396
where: short stacking energy: -16.758
Base-Backbone interact. energy: -0.504
local terms energy: -56.673870
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -243.042572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.042572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.042572 (E_RNA)
where:
Base-Base interactions energy: -157.504
where: short stacking energy: -78.135
Base-Backbone interact. energy: -0.439
local terms energy: -85.100266
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -211.080803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.080803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.080803 (E_RNA)
where:
Base-Base interactions energy: -128.796
where: short stacking energy: -74.879
Base-Backbone interact. energy: -0.060
local terms energy: -82.224354
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -25.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -217.649820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.649820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.649820 (E_RNA)
where:
Base-Base interactions energy: -146.331
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.060
local terms energy: -71.258219
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -205.555308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.555308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.555308 (E_RNA)
where:
Base-Base interactions energy: -121.437
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.010
local terms energy: -84.108990
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -223.326270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.326270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.326270 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -69.546
Base-Backbone interact. energy: -0.734
local terms energy: -74.740928
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -18.414
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: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -191.691973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.691973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691973 (E_RNA)
where:
Base-Base interactions energy: -118.263
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.557
local terms energy: -72.871394
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -110.870228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.870228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.870228 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -24.621
Base-Backbone interact. energy: -0.749
local terms energy: -69.320132
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -6.211
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: 47
Temperature: 1.250000
Total energy: -128.967554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.967554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.967554 (E_RNA)
where:
Base-Base interactions energy: -74.622
where: short stacking energy: -33.370
Base-Backbone interact. energy: -0.289
local terms energy: -54.055797
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -87.883985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.883985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.883985 (E_RNA)
where:
Base-Base interactions energy: -37.217
where: short stacking energy: -35.427
Base-Backbone interact. energy: -0.237
local terms energy: -50.429910
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -91.466727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.466727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.466727 (E_RNA)
where:
Base-Base interactions energy: -49.724
where: short stacking energy: -24.890
Base-Backbone interact. energy: 1.634
local terms energy: -43.376585
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -2.189
tors. eta vs tors. theta energy: -2.990
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: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -222.862288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.862288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.862288 (E_RNA)
where:
Base-Base interactions energy: -139.754
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.048
local terms energy: -83.060012
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -233.469169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.469169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.469169 (E_RNA)
where:
Base-Base interactions energy: -152.975
where: short stacking energy: -71.633
Base-Backbone interact. energy: 0.061
local terms energy: -80.555095
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -218.064259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064259 (E_RNA)
where:
Base-Base interactions energy: -133.227
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.716
local terms energy: -84.120960
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -202.007378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.007378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.007378 (E_RNA)
where:
Base-Base interactions energy: -126.175
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.035
local terms energy: -75.797058
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -210.428364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.428364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.428364 (E_RNA)
where:
Base-Base interactions energy: -134.995
where: short stacking energy: -57.011
Base-Backbone interact. energy: -1.573
local terms energy: -73.860527
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -15.123
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: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -171.595204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.595204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.595204 (E_RNA)
where:
Base-Base interactions energy: -106.306
where: short stacking energy: -40.341
Base-Backbone interact. energy: -1.750
local terms energy: -63.539548
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -4.575
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: 48
Temperature: 1.200000
Total energy: -175.069973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.069973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.069973 (E_RNA)
where:
Base-Base interactions energy: -103.901
where: short stacking energy: -46.099
Base-Backbone interact. energy: -0.033
local terms energy: -71.136873
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -90.373580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.373580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.373580 (E_RNA)
where:
Base-Base interactions energy: -35.550
where: short stacking energy: -27.726
Base-Backbone interact. energy: -0.069
local terms energy: -54.754117
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -90.051521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.051521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.051521 (E_RNA)
where:
Base-Base interactions energy: -41.434
where: short stacking energy: -41.434
Base-Backbone interact. energy: -0.184
local terms energy: -48.434414
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -2.857
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -74.035396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.035396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.035396 (E_RNA)
where:
Base-Base interactions energy: -22.914
where: short stacking energy: -22.914
Base-Backbone interact. energy: -0.076
local terms energy: -51.045304
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -229.807941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.807941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.807941 (E_RNA)
where:
Base-Base interactions energy: -153.924
where: short stacking energy: -79.845
Base-Backbone interact. energy: -0.091
local terms energy: -75.793228
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -217.422741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422741 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.057
local terms energy: -76.398625
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -14.294
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: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -214.284252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.284252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.284252 (E_RNA)
where:
Base-Base interactions energy: -142.929
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.100
local terms energy: -71.255579
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -207.675509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.675509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.675509 (E_RNA)
where:
Base-Base interactions energy: -131.092
where: short stacking energy: -68.376
Base-Backbone interact. energy: 0.448
local terms energy: -77.031460
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -17.632
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: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -198.241317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.241317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.241317 (E_RNA)
where:
Base-Base interactions energy: -114.266
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.046
local terms energy: -83.928798
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -19.430
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: 49
Temperature: 1.150000
Total energy: -187.315867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.315867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.315867 (E_RNA)
where:
Base-Base interactions energy: -118.176
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.089
local terms energy: -69.051286
where:
bonds (distance) C4'-P energy: -5.116
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -156.267614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.267614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.267614 (E_RNA)
where:
Base-Base interactions energy: -86.717
where: short stacking energy: -40.393
Base-Backbone interact. energy: -0.270
local terms energy: -69.280813
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -3.436
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -96.853773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.853773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.853773 (E_RNA)
where:
Base-Base interactions energy: -36.529
where: short stacking energy: -34.185
Base-Backbone interact. energy: -0.018
local terms energy: -60.306780
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -79.017375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.017375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.017375 (E_RNA)
where:
Base-Base interactions energy: -26.015
where: short stacking energy: -26.015
Base-Backbone interact. energy: -0.445
local terms energy: -52.557750
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -7.834
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: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -78.792407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.792407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.792407 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -27.314
Base-Backbone interact. energy: 0.402
local terms energy: -48.531530
where:
bonds (distance) C4'-P energy: -6.381
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -226.091678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.091678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.091678 (E_RNA)
where:
Base-Base interactions energy: -140.002
where: short stacking energy: -72.371
Base-Backbone interact. energy: -0.003
local terms energy: -86.086628
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -226.717500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.717500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.717500 (E_RNA)
where:
Base-Base interactions energy: -150.042
where: short stacking energy: -76.015
Base-Backbone interact. energy: -0.561
local terms energy: -76.114519
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -213.831485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.831485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.831485 (E_RNA)
where:
Base-Base interactions energy: -133.833
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.086
local terms energy: -79.912238
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -232.335146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.335146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.335146 (E_RNA)
where:
Base-Base interactions energy: -143.213
where: short stacking energy: -75.884
Base-Backbone interact. energy: -0.199
local terms energy: -88.923245
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -21.495
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: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -204.447494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.447494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.447494 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -48.318
Base-Backbone interact. energy: -0.204
local terms energy: -74.732016
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -229.231278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.231278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.231278 (E_RNA)
where:
Base-Base interactions energy: -156.074
where: short stacking energy: -62.129
Base-Backbone interact. energy: 0.079
local terms energy: -73.235932
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -180.370096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370096 (E_RNA)
where:
Base-Base interactions energy: -106.922
where: short stacking energy: -50.788
Base-Backbone interact. energy: -0.517
local terms energy: -72.931876
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -91.753066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.753066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.753066 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -29.074
Base-Backbone interact. energy: -1.426
local terms energy: -58.146707
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -1.128
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: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -91.397070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.397070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.397070 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -19.890
Base-Backbone interact. energy: 0.137
local terms energy: -55.229458
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -82.011507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.011507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.011507 (E_RNA)
where:
Base-Base interactions energy: -27.328
where: short stacking energy: -22.472
Base-Backbone interact. energy: 1.671
local terms energy: -56.354145
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -223.967021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.967021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.967021 (E_RNA)
where:
Base-Base interactions energy: -144.327
where: short stacking energy: -65.858
Base-Backbone interact. energy: 0.811
local terms energy: -80.450699
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -208.834637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.834637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.834637 (E_RNA)
where:
Base-Base interactions energy: -133.823
where: short stacking energy: -57.991
Base-Backbone interact. energy: 1.846
local terms energy: -76.857998
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -230.799741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.799741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.799741 (E_RNA)
where:
Base-Base interactions energy: -157.385
where: short stacking energy: -75.069
Base-Backbone interact. energy: -1.540
local terms energy: -71.875183
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -222.107358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.107358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.107358 (E_RNA)
where:
Base-Base interactions energy: -136.133
where: short stacking energy: -71.119
Base-Backbone interact. energy: -0.147
local terms energy: -85.826583
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -23.610
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -199.800655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.800655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.800655 (E_RNA)
where:
Base-Base interactions energy: -131.865
where: short stacking energy: -48.734
Base-Backbone interact. energy: -0.006
local terms energy: -67.930313
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -178.088221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.088221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.088221 (E_RNA)
where:
Base-Base interactions energy: -107.257
where: short stacking energy: -51.817
Base-Backbone interact. energy: -0.146
local terms energy: -70.685917
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -189.080716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.080716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.080716 (E_RNA)
where:
Base-Base interactions energy: -127.722
where: short stacking energy: -52.683
Base-Backbone interact. energy: 0.974
local terms energy: -62.332730
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -8.194
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -14.318
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: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -96.043449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.043449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.043449 (E_RNA)
where:
Base-Base interactions energy: -44.888
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.459
local terms energy: -50.695662
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -85.799389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.799389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.799389 (E_RNA)
where:
Base-Base interactions energy: -25.192
where: short stacking energy: -19.631
Base-Backbone interact. energy: -0.159
local terms energy: -60.448012
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -86.254623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.254623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.254623 (E_RNA)
where:
Base-Base interactions energy: -30.254
where: short stacking energy: -30.254
Base-Backbone interact. energy: -0.085
local terms energy: -55.916391
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -6.179
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: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -247.442887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.442887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.442887 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -73.343
Base-Backbone interact. energy: -1.129
local terms energy: -87.861656
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -228.819615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.819615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.819615 (E_RNA)
where:
Base-Base interactions energy: -148.614
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.190
local terms energy: -80.015568
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -217.076324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.076324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.076324 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.580
local terms energy: -78.431925
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -206.610728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.610728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.610728 (E_RNA)
where:
Base-Base interactions energy: -125.641
where: short stacking energy: -66.133
Base-Backbone interact. energy: -0.673
local terms energy: -80.296299
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -19.379
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: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -198.866692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.866692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.866692 (E_RNA)
where:
Base-Base interactions energy: -122.892
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.091
local terms energy: -75.883695
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -16.996
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: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -205.502323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.502323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.502323 (E_RNA)
where:
Base-Base interactions energy: -136.158
where: short stacking energy: -49.451
Base-Backbone interact. energy: 0.190
local terms energy: -69.534581
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -196.721507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.721507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.721507 (E_RNA)
where:
Base-Base interactions energy: -123.995
where: short stacking energy: -64.399
Base-Backbone interact. energy: -0.074
local terms energy: -72.652499
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -87.124770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.124770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.124770 (E_RNA)
where:
Base-Base interactions energy: -25.729
where: short stacking energy: -23.888
Base-Backbone interact. energy: -0.160
local terms energy: -61.235784
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -5.853
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: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -84.675150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.675150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.675150 (E_RNA)
where:
Base-Base interactions energy: -40.968
where: short stacking energy: -31.056
Base-Backbone interact. energy: -0.146
local terms energy: -43.560725
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -7.934
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -0.091
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: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -80.691898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.691898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.691898 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -26.658
Base-Backbone interact. energy: -0.008
local terms energy: -49.506271
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -234.199644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.199644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.199644 (E_RNA)
where:
Base-Base interactions energy: -143.572
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.270
local terms energy: -90.358163
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -224.183294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.183294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.183294 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -63.212
Base-Backbone interact. energy: 0.092
local terms energy: -87.141774
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -223.174730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.174730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.174730 (E_RNA)
where:
Base-Base interactions energy: -140.344
where: short stacking energy: -65.878
Base-Backbone interact. energy: -0.028
local terms energy: -82.803156
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -19.861
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: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -206.295236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.295236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.295236 (E_RNA)
where:
Base-Base interactions energy: -133.345
where: short stacking energy: -74.459
Base-Backbone interact. energy: -0.153
local terms energy: -72.797775
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -16.042
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: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -206.352841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.352841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.352841 (E_RNA)
where:
Base-Base interactions energy: -127.754
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.937
local terms energy: -77.662076
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -18.768
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: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -192.741248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.741248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.741248 (E_RNA)
where:
Base-Base interactions energy: -120.851
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.008
local terms energy: -71.882350
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -13.904
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: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -183.146629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.146629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.146629 (E_RNA)
where:
Base-Base interactions energy: -110.718
where: short stacking energy: -43.043
Base-Backbone interact. energy: -0.049
local terms energy: -72.379614
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -93.759112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.759112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.759112 (E_RNA)
where:
Base-Base interactions energy: -40.120
where: short stacking energy: -17.927
Base-Backbone interact. energy: -0.088
local terms energy: -53.550221
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -88.990620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.990620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.990620 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -32.319
Base-Backbone interact. energy: -1.124
local terms energy: -44.650525
where:
bonds (distance) C4'-P energy: -6.795
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -81.150978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.150978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.150978 (E_RNA)
where:
Base-Base interactions energy: -29.285
where: short stacking energy: -20.070
Base-Backbone interact. energy: 0.263
local terms energy: -52.128266
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -7.058
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: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -231.001069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.001069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.001069 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.128
local terms energy: -87.281925
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -227.734957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.734957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.734957 (E_RNA)
where:
Base-Base interactions energy: -150.747
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.887
local terms energy: -76.101093
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -216.973428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.973428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.973428 (E_RNA)
where:
Base-Base interactions energy: -131.908
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.013
local terms energy: -85.052560
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -202.738160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.738160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.738160 (E_RNA)
where:
Base-Base interactions energy: -126.825
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.269
local terms energy: -75.643669
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -202.114073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.114073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.114073 (E_RNA)
where:
Base-Base interactions energy: -120.941
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.340
local terms energy: -80.833155
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -17.224
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: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -184.827224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.827224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.827224 (E_RNA)
where:
Base-Base interactions energy: -114.768
where: short stacking energy: -55.853
Base-Backbone interact. energy: -0.610
local terms energy: -69.448886
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -12.941
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: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -193.095304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.095304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.095304 (E_RNA)
where:
Base-Base interactions energy: -120.024
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.086
local terms energy: -72.984910
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -101.559212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.559212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.559212 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -34.010
Base-Backbone interact. energy: -0.349
local terms energy: -56.537204
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -83.685708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.685708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.685708 (E_RNA)
where:
Base-Base interactions energy: -32.085
where: short stacking energy: -27.597
Base-Backbone interact. energy: -0.459
local terms energy: -51.141646
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -3.126
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: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -85.232954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.232954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.232954 (E_RNA)
where:
Base-Base interactions energy: -32.179
where: short stacking energy: -32.179
Base-Backbone interact. energy: -0.873
local terms energy: -52.180774
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -238.434453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.434453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.434453 (E_RNA)
where:
Base-Base interactions energy: -156.990
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.245
local terms energy: -81.199414
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -216.023587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.023587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.023587 (E_RNA)
where:
Base-Base interactions energy: -136.448
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.044
local terms energy: -79.531358
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -12.255
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: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -220.189149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.189149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.189149 (E_RNA)
where:
Base-Base interactions energy: -134.853
where: short stacking energy: -74.922
Base-Backbone interact. energy: -0.013
local terms energy: -85.322856
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -201.698745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.698745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.698745 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -62.717
Base-Backbone interact. energy: -0.025
local terms energy: -76.751282
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -212.421808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.421808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.421808 (E_RNA)
where:
Base-Base interactions energy: -136.577
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.864
local terms energy: -74.981088
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -185.639302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.639302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.639302 (E_RNA)
where:
Base-Base interactions energy: -117.700
where: short stacking energy: -50.933
Base-Backbone interact. energy: 0.052
local terms energy: -67.991434
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -173.229600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.229600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.229600 (E_RNA)
where:
Base-Base interactions energy: -107.496
where: short stacking energy: -45.240
Base-Backbone interact. energy: -0.484
local terms energy: -65.249794
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -93.380440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.380440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.380440 (E_RNA)
where:
Base-Base interactions energy: -35.207
where: short stacking energy: -33.020
Base-Backbone interact. energy: -0.232
local terms energy: -57.941477
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -9.873
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: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -82.058119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.058119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.058119 (E_RNA)
where:
Base-Base interactions energy: -24.441
where: short stacking energy: -17.334
Base-Backbone interact. energy: -1.845
local terms energy: -55.772122
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -88.223651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.223651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.223651 (E_RNA)
where:
Base-Base interactions energy: -33.990
where: short stacking energy: -30.926
Base-Backbone interact. energy: -0.012
local terms energy: -54.222021
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -218.122172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.122172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.122172 (E_RNA)
where:
Base-Base interactions energy: -138.047
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.101
local terms energy: -79.974556
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -14.612
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: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -233.679416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.679416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.679416 (E_RNA)
where:
Base-Base interactions energy: -154.145
where: short stacking energy: -73.666
Base-Backbone interact. energy: -0.068
local terms energy: -79.466125
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -207.380800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.380800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.380800 (E_RNA)
where:
Base-Base interactions energy: -131.420
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.044
local terms energy: -75.917203
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -205.313937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.313937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313937 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.015
local terms energy: -70.538540
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -204.570277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.570277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.570277 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.036
local terms energy: -79.362269
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -16.650
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: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -186.576867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.576867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.576867 (E_RNA)
where:
Base-Base interactions energy: -116.135
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.859
local terms energy: -69.582378
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -10.520
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: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -151.151429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.151429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.151429 (E_RNA)
where:
Base-Base interactions energy: -85.791
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.584
local terms energy: -64.776807
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -8.413
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: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -104.558986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.558986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.558986 (E_RNA)
where:
Base-Base interactions energy: -43.467
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.153
local terms energy: -60.939133
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -5.084
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: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -84.789324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789324 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -32.712
Base-Backbone interact. energy: 1.603
local terms energy: -53.880022
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -74.172173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.172173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.172173 (E_RNA)
where:
Base-Base interactions energy: -19.601
where: short stacking energy: -19.601
Base-Backbone interact. energy: -0.277
local terms energy: -54.293856
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.526
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: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -230.421904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.421904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.421904 (E_RNA)
where:
Base-Base interactions energy: -145.491
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.001
local terms energy: -84.930222
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -224.696083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.696083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.696083 (E_RNA)
where:
Base-Base interactions energy: -150.934
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.085
local terms energy: -73.677430
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -231.708983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.708983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.708983 (E_RNA)
where:
Base-Base interactions energy: -145.254
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.026
local terms energy: -86.429410
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -210.253567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.253567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.253567 (E_RNA)
where:
Base-Base interactions energy: -136.012
where: short stacking energy: -53.332
Base-Backbone interact. energy: -0.055
local terms energy: -74.186360
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -201.819058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.819058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.819058 (E_RNA)
where:
Base-Base interactions energy: -133.677
where: short stacking energy: -53.408
Base-Backbone interact. energy: -0.777
local terms energy: -67.365585
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -175.584724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.584724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.584724 (E_RNA)
where:
Base-Base interactions energy: -114.950
where: short stacking energy: -48.184
Base-Backbone interact. energy: -0.467
local terms energy: -60.167119
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -156.643130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.643130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.643130 (E_RNA)
where:
Base-Base interactions energy: -89.371
where: short stacking energy: -43.807
Base-Backbone interact. energy: -0.722
local terms energy: -66.550456
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -85.593446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593446 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -31.883
Base-Backbone interact. energy: -0.014
local terms energy: -52.946935
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -86.250550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.250550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.250550 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -26.570
Base-Backbone interact. energy: -0.048
local terms energy: -58.009391
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -95.222680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.222680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.222680 (E_RNA)
where:
Base-Base interactions energy: -34.191
where: short stacking energy: -30.268
Base-Backbone interact. energy: -0.235
local terms energy: -60.796210
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -223.702098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.702098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.702098 (E_RNA)
where:
Base-Base interactions energy: -142.833
where: short stacking energy: -65.866
Base-Backbone interact. energy: -0.008
local terms energy: -80.860303
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -229.715889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.715889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.715889 (E_RNA)
where:
Base-Base interactions energy: -145.844
where: short stacking energy: -66.790
Base-Backbone interact. energy: 0.191
local terms energy: -84.062928
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -20.695
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: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -224.048283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.048283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.048283 (E_RNA)
where:
Base-Base interactions energy: -141.989
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.011
local terms energy: -82.048050
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -217.388380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.388380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.388380 (E_RNA)
where:
Base-Base interactions energy: -140.780
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.391
local terms energy: -76.217301
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -204.034552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.034552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.034552 (E_RNA)
where:
Base-Base interactions energy: -126.886
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.041
local terms energy: -77.107664
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -158.355157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.355157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.355157 (E_RNA)
where:
Base-Base interactions energy: -91.694
where: short stacking energy: -42.023
Base-Backbone interact. energy: -0.024
local terms energy: -66.636317
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -8.199
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: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -155.413982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.413982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.413982 (E_RNA)
where:
Base-Base interactions energy: -90.194
where: short stacking energy: -41.879
Base-Backbone interact. energy: -0.234
local terms energy: -64.985289
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -93.250349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.250349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.250349 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -21.006
Base-Backbone interact. energy: -0.887
local terms energy: -53.113887
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -83.352814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352814 (E_RNA)
where:
Base-Base interactions energy: -27.271
where: short stacking energy: -20.865
Base-Backbone interact. energy: -0.606
local terms energy: -55.475788
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: 5.387
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: 58
Temperature: 1.350000
Total energy: -85.000269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.000269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.000269 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -29.150
Base-Backbone interact. energy: -1.414
local terms energy: -54.357753
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -6.633
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: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -217.809238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.809238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.809238 (E_RNA)
where:
Base-Base interactions energy: -132.468
where: short stacking energy: -72.435
Base-Backbone interact. energy: -0.173
local terms energy: -85.168332
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -227.452088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.452088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.452088 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -71.357
Base-Backbone interact. energy: -0.036
local terms energy: -87.106938
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -217.977878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.977878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977878 (E_RNA)
where:
Base-Base interactions energy: -133.090
where: short stacking energy: -65.481
Base-Backbone interact. energy: -0.721
local terms energy: -84.166311
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -195.182889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.182889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.182889 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -61.967
Base-Backbone interact. energy: -0.271
local terms energy: -66.430113
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -201.480939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.480939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.480939 (E_RNA)
where:
Base-Base interactions energy: -119.510
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.005
local terms energy: -81.965868
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -183.341501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.341501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.341501 (E_RNA)
where:
Base-Base interactions energy: -112.654
where: short stacking energy: -59.370
Base-Backbone interact. energy: -0.214
local terms energy: -70.473730
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -167.752525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.752525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.752525 (E_RNA)
where:
Base-Base interactions energy: -98.208
where: short stacking energy: -46.214
Base-Backbone interact. energy: -0.891
local terms energy: -68.653504
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -94.265673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265673 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -19.329
Base-Backbone interact. energy: -0.385
local terms energy: -60.365266
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -0.731
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: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -83.190042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.190042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.190042 (E_RNA)
where:
Base-Base interactions energy: -34.438
where: short stacking energy: -31.827
Base-Backbone interact. energy: -0.172
local terms energy: -48.579819
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -9.515
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: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -76.724535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.724535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.724535 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -31.633
Base-Backbone interact. energy: -0.923
local terms energy: -40.758442
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: 3.145
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: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -231.391124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391124 (E_RNA)
where:
Base-Base interactions energy: -149.923
where: short stacking energy: -70.868
Base-Backbone interact. energy: -0.642
local terms energy: -80.825629
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -213.404371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.404371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.404371 (E_RNA)
where:
Base-Base interactions energy: -128.878
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.069
local terms energy: -84.457295
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -200.725491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.725491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.725491 (E_RNA)
where:
Base-Base interactions energy: -127.981
where: short stacking energy: -59.961
Base-Backbone interact. energy: 0.933
local terms energy: -73.676869
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -201.630068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.630068 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -57.596
Base-Backbone interact. energy: 1.322
local terms energy: -76.641883
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -185.196267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.196267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.196267 (E_RNA)
where:
Base-Base interactions energy: -109.843
where: short stacking energy: -60.644
Base-Backbone interact. energy: 0.166
local terms energy: -75.519054
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -218.580454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.580454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.580454 (E_RNA)
where:
Base-Base interactions energy: -145.609
where: short stacking energy: -72.152
Base-Backbone interact. energy: -0.152
local terms energy: -72.819330
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -120.378228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.378228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.378228 (E_RNA)
where:
Base-Base interactions energy: -68.886
where: short stacking energy: -33.976
Base-Backbone interact. energy: -0.182
local terms energy: -51.310318
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: 1.617
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -146.932296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.932296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.932296 (E_RNA)
where:
Base-Base interactions energy: -86.504
where: short stacking energy: -38.580
Base-Backbone interact. energy: -0.301
local terms energy: -60.127800
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -6.295
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: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.154434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.154434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.154434 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -20.646
Base-Backbone interact. energy: -0.053
local terms energy: -54.759966
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -83.314917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.314917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.314917 (E_RNA)
where:
Base-Base interactions energy: -26.624
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.336
local terms energy: -56.354769
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -6.598
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -231.047997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.047997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.047997 (E_RNA)
where:
Base-Base interactions energy: -151.180
where: short stacking energy: -69.968
Base-Backbone interact. energy: -0.008
local terms energy: -79.860150
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -224.633874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.633874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.633874 (E_RNA)
where:
Base-Base interactions energy: -150.066
where: short stacking energy: -61.315
Base-Backbone interact. energy: 0.034
local terms energy: -74.601864
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -216.829151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.829151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.829151 (E_RNA)
where:
Base-Base interactions energy: -137.943
where: short stacking energy: -65.812
Base-Backbone interact. energy: 1.180
local terms energy: -80.065621
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -215.033231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.033231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.033231 (E_RNA)
where:
Base-Base interactions energy: -135.876
where: short stacking energy: -69.099
Base-Backbone interact. energy: -0.426
local terms energy: -78.731849
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -217.640898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.640898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.640898 (E_RNA)
where:
Base-Base interactions energy: -130.254
where: short stacking energy: -74.334
Base-Backbone interact. energy: -0.010
local terms energy: -87.376528
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -22.666
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: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -173.342804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.342804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.342804 (E_RNA)
where:
Base-Base interactions energy: -103.286
where: short stacking energy: -44.567
Base-Backbone interact. energy: -0.898
local terms energy: -69.158627
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -98.911913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.911913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.911913 (E_RNA)
where:
Base-Base interactions energy: -39.524
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.053
local terms energy: -59.335180
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -185.023356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.023356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.023356 (E_RNA)
where:
Base-Base interactions energy: -111.700
where: short stacking energy: -49.867
Base-Backbone interact. energy: -0.378
local terms energy: -72.945374
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -91.439006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.439006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.439006 (E_RNA)
where:
Base-Base interactions energy: -47.353
where: short stacking energy: -26.874
Base-Backbone interact. energy: -0.408
local terms energy: -43.677840
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -2.633
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -85.245626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.245626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.245626 (E_RNA)
where:
Base-Base interactions energy: -27.735
where: short stacking energy: -21.323
Base-Backbone interact. energy: -0.169
local terms energy: -57.341622
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -219.531666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.531666 (E_RNA)
where:
Base-Base interactions energy: -136.285
where: short stacking energy: -64.682
Base-Backbone interact. energy: -0.105
local terms energy: -83.141315
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -220.913482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.913482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.913482 (E_RNA)
where:
Base-Base interactions energy: -141.486
where: short stacking energy: -56.234
Base-Backbone interact. energy: -0.031
local terms energy: -79.395731
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -206.781315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.781315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.781315 (E_RNA)
where:
Base-Base interactions energy: -124.450
where: short stacking energy: -68.465
Base-Backbone interact. energy: -0.096
local terms energy: -82.234502
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -212.040998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.040998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.040998 (E_RNA)
where:
Base-Base interactions energy: -128.704
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.873
local terms energy: -82.463686
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -20.978
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: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -200.441300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.441300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.441300 (E_RNA)
where:
Base-Base interactions energy: -117.729
where: short stacking energy: -55.062
Base-Backbone interact. energy: -0.389
local terms energy: -82.323509
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -168.095999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.095999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.095999 (E_RNA)
where:
Base-Base interactions energy: -97.850
where: short stacking energy: -41.488
Base-Backbone interact. energy: -0.104
local terms energy: -70.142062
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -183.812363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.812363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.812363 (E_RNA)
where:
Base-Base interactions energy: -116.766
where: short stacking energy: -49.630
Base-Backbone interact. energy: -0.034
local terms energy: -67.012437
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -85.319764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.319764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.319764 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -29.098
Base-Backbone interact. energy: -0.637
local terms energy: -43.598018
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: 1.645
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -83.853684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.853684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.853684 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.283
local terms energy: -54.928190
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: 1.796
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: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -84.143376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.143376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.143376 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -28.260
Base-Backbone interact. energy: -1.306
local terms energy: -52.326436
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -233.496241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.496241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.496241 (E_RNA)
where:
Base-Base interactions energy: -146.061
where: short stacking energy: -71.121
Base-Backbone interact. energy: -0.595
local terms energy: -86.840221
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -225.744782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.744782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.744782 (E_RNA)
where:
Base-Base interactions energy: -145.032
where: short stacking energy: -69.463
Base-Backbone interact. energy: -0.056
local terms energy: -80.657111
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -218.439833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.439833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.439833 (E_RNA)
where:
Base-Base interactions energy: -143.294
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.145
local terms energy: -75.001077
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -209.486160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.486160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.486160 (E_RNA)
where:
Base-Base interactions energy: -132.927
where: short stacking energy: -61.630
Base-Backbone interact. energy: -0.069
local terms energy: -76.489780
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -16.981
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: 63
Temperature: 1.100000
Total energy: -213.634001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.634001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.634001 (E_RNA)
where:
Base-Base interactions energy: -132.420
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.441
local terms energy: -80.772693
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -186.024636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.024636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.024636 (E_RNA)
where:
Base-Base interactions energy: -124.692
where: short stacking energy: -47.626
Base-Backbone interact. energy: 0.387
local terms energy: -61.719133
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -170.826438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.826438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.826438 (E_RNA)
where:
Base-Base interactions energy: -103.762
where: short stacking energy: -37.812
Base-Backbone interact. energy: -1.481
local terms energy: -65.583661
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -104.533080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.533080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.533080 (E_RNA)
where:
Base-Base interactions energy: -44.154
where: short stacking energy: -38.859
Base-Backbone interact. energy: 0.800
local terms energy: -61.178483
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -99.273274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273274 (E_RNA)
where:
Base-Base interactions energy: -43.050
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.327
local terms energy: -55.895799
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -80.546481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546481 (E_RNA)
where:
Base-Base interactions energy: -27.673
where: short stacking energy: -18.241
Base-Backbone interact. energy: 0.109
local terms energy: -52.981958
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: 4.910
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: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -227.993511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.993511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.993511 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -74.082
Base-Backbone interact. energy: 1.057
local terms energy: -85.462885
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -13.105
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: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -231.849409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.849409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.849409 (E_RNA)
where:
Base-Base interactions energy: -143.855
where: short stacking energy: -66.315
Base-Backbone interact. energy: -0.003
local terms energy: -87.991241
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -211.702062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.702062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.702062 (E_RNA)
where:
Base-Base interactions energy: -126.244
where: short stacking energy: -62.835
Base-Backbone interact. energy: -1.870
local terms energy: -83.588342
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -21.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -205.934376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.934376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.934376 (E_RNA)
where:
Base-Base interactions energy: -133.233
where: short stacking energy: -55.280
Base-Backbone interact. energy: -0.014
local terms energy: -72.686755
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -10.405
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: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -198.693504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.693504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.693504 (E_RNA)
where:
Base-Base interactions energy: -121.717
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.186
local terms energy: -76.790794
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -14.352
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: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -203.780376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.780376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.780376 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.033
local terms energy: -66.044718
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -100.312693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.312693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.312693 (E_RNA)
where:
Base-Base interactions energy: -34.816
where: short stacking energy: -32.807
Base-Backbone interact. energy: -1.131
local terms energy: -64.365361
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -180.621622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.621622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.621622 (E_RNA)
where:
Base-Base interactions energy: -111.788
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.288
local terms energy: -68.545343
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -90.474283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.474283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.474283 (E_RNA)
where:
Base-Base interactions energy: -28.377
where: short stacking energy: -26.392
Base-Backbone interact. energy: -0.051
local terms energy: -62.046665
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -3.351
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: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -76.990509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.990509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.990509 (E_RNA)
where:
Base-Base interactions energy: -27.447
where: short stacking energy: -23.658
Base-Backbone interact. energy: -0.305
local terms energy: -49.239060
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: 6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -232.434078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.434078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.434078 (E_RNA)
where:
Base-Base interactions energy: -148.806
where: short stacking energy: -75.381
Base-Backbone interact. energy: -0.010
local terms energy: -83.618438
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -220.002155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.002155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.002155 (E_RNA)
where:
Base-Base interactions energy: -148.188
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.087
local terms energy: -71.726934
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -220.087389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.087389 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.035
local terms energy: -77.151600
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -197.294941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.294941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.294941 (E_RNA)
where:
Base-Base interactions energy: -128.923
where: short stacking energy: -50.258
Base-Backbone interact. energy: 0.083
local terms energy: -68.455067
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -186.697837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.697837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.697837 (E_RNA)
where:
Base-Base interactions energy: -111.411
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.078
local terms energy: -75.208994
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -16.177
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: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -184.461101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.461101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.461101 (E_RNA)
where:
Base-Base interactions energy: -109.862
where: short stacking energy: -54.407
Base-Backbone interact. energy: -0.151
local terms energy: -74.448244
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -15.846
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: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -104.051287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.051287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.051287 (E_RNA)
where:
Base-Base interactions energy: -41.656
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.940
local terms energy: -61.455307
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -181.600181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.600181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.600181 (E_RNA)
where:
Base-Base interactions energy: -107.935
where: short stacking energy: -50.953
Base-Backbone interact. energy: -1.102
local terms energy: -72.563676
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -109.528920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.528920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.528920 (E_RNA)
where:
Base-Base interactions energy: -56.089
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.800
local terms energy: -52.640015
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -82.925082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.925082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.925082 (E_RNA)
where:
Base-Base interactions energy: -29.141
where: short stacking energy: -27.045
Base-Backbone interact. energy: 0.135
local terms energy: -53.918285
where:
bonds (distance) C4'-P energy: -7.923
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -231.565356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.565356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.565356 (E_RNA)
where:
Base-Base interactions energy: -153.407
where: short stacking energy: -63.054
Base-Backbone interact. energy: -0.229
local terms energy: -77.929356
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -220.076190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.076190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.076190 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.011
local terms energy: -83.208548
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -18.852
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: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -225.031597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.031597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.031597 (E_RNA)
where:
Base-Base interactions energy: -141.831
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.063
local terms energy: -83.137096
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -19.332
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: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -200.847422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.847422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.847422 (E_RNA)
where:
Base-Base interactions energy: -132.362
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.216
local terms energy: -68.270053
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -13.836
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: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -178.874959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.874959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.874959 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.966
local terms energy: -69.178621
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -186.820921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.820921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.820921 (E_RNA)
where:
Base-Base interactions energy: -107.509
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.004
local terms energy: -79.308181
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -166.368775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.368775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.368775 (E_RNA)
where:
Base-Base interactions energy: -95.927
where: short stacking energy: -40.224
Base-Backbone interact. energy: 0.297
local terms energy: -70.738948
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -107.537702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.537702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.537702 (E_RNA)
where:
Base-Base interactions energy: -52.894
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.558
local terms energy: -54.086012
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -82.109658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.109658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.109658 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -17.531
Base-Backbone interact. energy: -0.217
local terms energy: -53.085554
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: 4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -77.615692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.615692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.615692 (E_RNA)
where:
Base-Base interactions energy: -26.324
where: short stacking energy: -26.324
Base-Backbone interact. energy: -0.266
local terms energy: -51.025483
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -228.910275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.910275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.910275 (E_RNA)
where:
Base-Base interactions energy: -155.859
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.089
local terms energy: -72.962272
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -240.480644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.480644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.480644 (E_RNA)
where:
Base-Base interactions energy: -148.338
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.038
local terms energy: -92.104061
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -212.029096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.029096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.029096 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -59.884
Base-Backbone interact. energy: 0.252
local terms energy: -73.771283
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -196.674364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.674364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.674364 (E_RNA)
where:
Base-Base interactions energy: -124.309
where: short stacking energy: -62.026
Base-Backbone interact. energy: 0.769
local terms energy: -73.134914
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -201.744287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.744287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.744287 (E_RNA)
where:
Base-Base interactions energy: -125.862
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.199
local terms energy: -75.683542
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -207.514103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.514103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.514103 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.668
local terms energy: -76.798854
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -19.489
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: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -183.571843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.571843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.571843 (E_RNA)
where:
Base-Base interactions energy: -120.543
where: short stacking energy: -51.620
Base-Backbone interact. energy: -0.110
local terms energy: -62.918319
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -14.577
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -83.861961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.861961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.861961 (E_RNA)
where:
Base-Base interactions energy: -26.061
where: short stacking energy: -26.061
Base-Backbone interact. energy: -0.322
local terms energy: -57.479114
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -1.608
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: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -106.056290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.056290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.056290 (E_RNA)
where:
Base-Base interactions energy: -50.304
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.113
local terms energy: -55.639159
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: 2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -78.866162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.866162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.866162 (E_RNA)
where:
Base-Base interactions energy: -25.913
where: short stacking energy: -25.856
Base-Backbone interact. energy: -0.183
local terms energy: -52.769913
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -3.327
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: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -246.516924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.516924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.516924 (E_RNA)
where:
Base-Base interactions energy: -155.878
where: short stacking energy: -77.367
Base-Backbone interact. energy: 0.595
local terms energy: -91.234105
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -224.098877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.098877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.098877 (E_RNA)
where:
Base-Base interactions energy: -139.405
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.211
local terms energy: -84.482979
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -218.813462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.813462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.813462 (E_RNA)
where:
Base-Base interactions energy: -140.001
where: short stacking energy: -62.591
Base-Backbone interact. energy: 0.315
local terms energy: -79.127745
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -18.935
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: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -197.594473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.594473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.594473 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.119
local terms energy: -70.468258
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -190.355238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.355238 (E_RNA)
where:
Base-Base interactions energy: -129.000
where: short stacking energy: -59.992
Base-Backbone interact. energy: 0.820
local terms energy: -62.175480
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -12.127
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: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -172.817780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.817780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.817780 (E_RNA)
where:
Base-Base interactions energy: -108.508
where: short stacking energy: -59.450
Base-Backbone interact. energy: 0.707
local terms energy: -65.016731
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -173.337115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.337115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.337115 (E_RNA)
where:
Base-Base interactions energy: -110.572
where: short stacking energy: -56.086
Base-Backbone interact. energy: -0.352
local terms energy: -62.413230
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -101.397840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.397840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.397840 (E_RNA)
where:
Base-Base interactions energy: -32.596
where: short stacking energy: -32.596
Base-Backbone interact. energy: 0.307
local terms energy: -69.109045
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -87.190416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.190416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.190416 (E_RNA)
where:
Base-Base interactions energy: -30.254
where: short stacking energy: -26.770
Base-Backbone interact. energy: -0.071
local terms energy: -56.865440
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: 4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -78.898372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.898372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.898372 (E_RNA)
where:
Base-Base interactions energy: -27.624
where: short stacking energy: -21.336
Base-Backbone interact. energy: -0.940
local terms energy: -50.335000
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -12.547
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: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -236.594405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.594405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.594405 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -75.546
Base-Backbone interact. energy: -0.034
local terms energy: -91.426022
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -239.373942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.373942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.373942 (E_RNA)
where:
Base-Base interactions energy: -158.268
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.074
local terms energy: -81.031459
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -213.951781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.951781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.951781 (E_RNA)
where:
Base-Base interactions energy: -135.680
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.208
local terms energy: -78.063770
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -209.414454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.414454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.414454 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.083
local terms energy: -73.315077
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -204.673010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.673010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.673010 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.957
local terms energy: -72.390031
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -196.501855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.501855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.501855 (E_RNA)
where:
Base-Base interactions energy: -114.303
where: short stacking energy: -51.213
Base-Backbone interact. energy: -0.162
local terms energy: -82.037189
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -19.812
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: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -170.390593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.390593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.390593 (E_RNA)
where:
Base-Base interactions energy: -107.553
where: short stacking energy: -43.258
Base-Backbone interact. energy: -1.052
local terms energy: -61.785494
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -11.016
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: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -94.069346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.069346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.069346 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -7.700
Base-Backbone interact. energy: -0.399
local terms energy: -57.258525
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: 1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -95.309572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.309572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.309572 (E_RNA)
where:
Base-Base interactions energy: -39.770
where: short stacking energy: -34.510
Base-Backbone interact. energy: -0.721
local terms energy: -54.818561
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -78.477395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.477395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.477395 (E_RNA)
where:
Base-Base interactions energy: -26.158
where: short stacking energy: -23.077
Base-Backbone interact. energy: -0.063
local terms energy: -52.255993
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: 2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -238.614551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.614551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.614551 (E_RNA)
where:
Base-Base interactions energy: -155.961
where: short stacking energy: -64.598
Base-Backbone interact. energy: -0.075
local terms energy: -82.578570
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -231.249799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.249799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.249799 (E_RNA)
where:
Base-Base interactions energy: -148.829
where: short stacking energy: -66.149
Base-Backbone interact. energy: -0.164
local terms energy: -82.256872
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -222.833575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.833575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.833575 (E_RNA)
where:
Base-Base interactions energy: -141.024
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.617
local terms energy: -81.192573
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -217.571785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.571785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.571785 (E_RNA)
where:
Base-Base interactions energy: -143.740
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.576
local terms energy: -73.255565
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -193.026805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.026805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.026805 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -56.870
Base-Backbone interact. energy: -0.005
local terms energy: -62.327942
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -191.806253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.806253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.806253 (E_RNA)
where:
Base-Base interactions energy: -120.409
where: short stacking energy: -58.171
Base-Backbone interact. energy: 0.232
local terms energy: -71.629560
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -157.913449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.913449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.913449 (E_RNA)
where:
Base-Base interactions energy: -86.425
where: short stacking energy: -46.822
Base-Backbone interact. energy: 0.095
local terms energy: -71.583072
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -103.090274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.090274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.090274 (E_RNA)
where:
Base-Base interactions energy: -45.694
where: short stacking energy: -20.138
Base-Backbone interact. energy: -0.410
local terms energy: -56.985843
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -0.111
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -89.902727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.902727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.902727 (E_RNA)
where:
Base-Base interactions energy: -41.094
where: short stacking energy: -36.380
Base-Backbone interact. energy: -0.520
local terms energy: -48.288238
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: 1.285
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -93.313899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.313899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.313899 (E_RNA)
where:
Base-Base interactions energy: -33.585
where: short stacking energy: -19.609
Base-Backbone interact. energy: -0.107
local terms energy: -59.621407
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -243.351935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.351935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.351935 (E_RNA)
where:
Base-Base interactions energy: -154.887
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.245
local terms energy: -88.220203
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -24.259
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: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -227.505099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.505099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.505099 (E_RNA)
where:
Base-Base interactions energy: -152.695
where: short stacking energy: -79.596
Base-Backbone interact. energy: -0.203
local terms energy: -74.606795
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -22.063
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: 71
Temperature: 1.000000
Total energy: -214.486164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.486164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.486164 (E_RNA)
where:
Base-Base interactions energy: -137.040
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.022
local terms energy: -77.423825
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -204.636709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.636709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.636709 (E_RNA)
where:
Base-Base interactions energy: -126.298
where: short stacking energy: -69.203
Base-Backbone interact. energy: 0.120
local terms energy: -78.459290
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -17.876
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: 71
Temperature: 1.100000
Total energy: -196.109981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.109981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.109981 (E_RNA)
where:
Base-Base interactions energy: -131.600
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.122
local terms energy: -64.387633
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -169.020410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.020410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.020410 (E_RNA)
where:
Base-Base interactions energy: -106.172
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.031
local terms energy: -62.818019
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -11.030
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: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -163.153592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.153592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.153592 (E_RNA)
where:
Base-Base interactions energy: -100.438
where: short stacking energy: -48.212
Base-Backbone interact. energy: -0.176
local terms energy: -62.540048
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -8.452
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: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -99.265876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.265876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.265876 (E_RNA)
where:
Base-Base interactions energy: -38.466
where: short stacking energy: -38.466
Base-Backbone interact. energy: -0.290
local terms energy: -60.509750
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -88.582414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.582414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.582414 (E_RNA)
where:
Base-Base interactions energy: -39.499
where: short stacking energy: -25.767
Base-Backbone interact. energy: 0.129
local terms energy: -49.211700
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -85.043289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043289 (E_RNA)
where:
Base-Base interactions energy: -34.010
where: short stacking energy: -24.488
Base-Backbone interact. energy: -0.031
local terms energy: -51.002811
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: 3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -240.977136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.977136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.977136 (E_RNA)
where:
Base-Base interactions energy: -157.104
where: short stacking energy: -73.924
Base-Backbone interact. energy: -0.071
local terms energy: -83.801705
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -21.750
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: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -215.978984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.978984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.978984 (E_RNA)
where:
Base-Base interactions energy: -131.263
where: short stacking energy: -62.527
Base-Backbone interact. energy: -0.366
local terms energy: -84.349325
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -217.773893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.773893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.773893 (E_RNA)
where:
Base-Base interactions energy: -132.521
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.514
local terms energy: -84.738489
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -196.097157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.097157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.097157 (E_RNA)
where:
Base-Base interactions energy: -130.485
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.258
local terms energy: -65.353890
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -195.801061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.801061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.801061 (E_RNA)
where:
Base-Base interactions energy: -134.600
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.703
local terms energy: -60.498965
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -173.123428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.123428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.123428 (E_RNA)
where:
Base-Base interactions energy: -110.841
where: short stacking energy: -49.285
Base-Backbone interact. energy: -0.197
local terms energy: -62.085195
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -129.621891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.621891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.621891 (E_RNA)
where:
Base-Base interactions energy: -75.681
where: short stacking energy: -36.773
Base-Backbone interact. energy: -1.061
local terms energy: -52.879763
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -141.608029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.608029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.608029 (E_RNA)
where:
Base-Base interactions energy: -85.807
where: short stacking energy: -43.328
Base-Backbone interact. energy: -0.025
local terms energy: -55.775817
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -98.027974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.027974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.027974 (E_RNA)
where:
Base-Base interactions energy: -45.457
where: short stacking energy: -22.477
Base-Backbone interact. energy: -0.299
local terms energy: -52.272629
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: 1.408
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: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -83.086231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.086231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.086231 (E_RNA)
where:
Base-Base interactions energy: -22.043
where: short stacking energy: -19.557
Base-Backbone interact. energy: -0.147
local terms energy: -60.895730
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -3.258
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: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -244.996889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.996889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.996889 (E_RNA)
where:
Base-Base interactions energy: -156.843
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.001
local terms energy: -88.152581
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -23.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -219.798426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.798426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.798426 (E_RNA)
where:
Base-Base interactions energy: -134.014
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.025
local terms energy: -85.758602
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -210.937020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.937020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.937020 (E_RNA)
where:
Base-Base interactions energy: -130.807
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.014
local terms energy: -80.116047
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -205.852446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.852446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.852446 (E_RNA)
where:
Base-Base interactions energy: -140.944
where: short stacking energy: -61.337
Base-Backbone interact. energy: -1.231
local terms energy: -63.677725
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -201.918352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.918352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.918352 (E_RNA)
where:
Base-Base interactions energy: -133.609
where: short stacking energy: -55.631
Base-Backbone interact. energy: -0.287
local terms energy: -68.021967
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -155.338496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.338496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.338496 (E_RNA)
where:
Base-Base interactions energy: -88.153
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.014
local terms energy: -67.171420
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -147.856349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.856349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.856349 (E_RNA)
where:
Base-Base interactions energy: -85.099
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.256
local terms energy: -62.500815
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -11.571
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: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -89.921580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.921580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.921580 (E_RNA)
where:
Base-Base interactions energy: -35.098
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.094
local terms energy: -54.729847
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -103.345536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.345536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.345536 (E_RNA)
where:
Base-Base interactions energy: -58.909
where: short stacking energy: -19.571
Base-Backbone interact. energy: 3.829
local terms energy: -48.265584
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -3.482
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: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.891021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.891021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.891021 (E_RNA)
where:
Base-Base interactions energy: -35.308
where: short stacking energy: -30.044
Base-Backbone interact. energy: -1.824
local terms energy: -44.759094
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -6.382
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: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -233.903524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.903524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.903524 (E_RNA)
where:
Base-Base interactions energy: -153.892
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.130
local terms energy: -79.882307
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -215.866783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.866783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.866783 (E_RNA)
where:
Base-Base interactions energy: -132.084
where: short stacking energy: -70.537
Base-Backbone interact. energy: -0.024
local terms energy: -83.758354
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -218.821675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821675 (E_RNA)
where:
Base-Base interactions energy: -145.588
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.118
local terms energy: -73.115608
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -221.668682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.668682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.668682 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -80.913
Base-Backbone interact. energy: 0.595
local terms energy: -82.640174
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -22.606
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: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -207.590189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.590189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.590189 (E_RNA)
where:
Base-Base interactions energy: -138.509
where: short stacking energy: -52.675
Base-Backbone interact. energy: -0.213
local terms energy: -68.867912
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -11.549
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -186.341085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.341085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.341085 (E_RNA)
where:
Base-Base interactions energy: -115.319
where: short stacking energy: -49.164
Base-Backbone interact. energy: 0.572
local terms energy: -71.594329
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -161.900871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.900871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.900871 (E_RNA)
where:
Base-Base interactions energy: -96.669
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.774
local terms energy: -64.458445
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -8.148
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: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -85.658429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.658429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.658429 (E_RNA)
where:
Base-Base interactions energy: -26.103
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.141
local terms energy: -59.414569
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -83.628158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.628158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.628158 (E_RNA)
where:
Base-Base interactions energy: -34.896
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.262
local terms energy: -48.469982
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -77.778062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.778062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.778062 (E_RNA)
where:
Base-Base interactions energy: -31.843
where: short stacking energy: -13.374
Base-Backbone interact. energy: 1.730
local terms energy: -47.665661
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: 1.602
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: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -227.154236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.154236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.154236 (E_RNA)
where:
Base-Base interactions energy: -135.727
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.009
local terms energy: -91.417821
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -221.152579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152579 (E_RNA)
where:
Base-Base interactions energy: -143.669
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.094
local terms energy: -77.388942
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -213.405322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.405322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.405322 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -74.030
Base-Backbone interact. energy: -0.003
local terms energy: -76.965447
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -224.098541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.098541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.098541 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -76.007
Base-Backbone interact. energy: 0.180
local terms energy: -84.486932
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -24.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -192.374969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.374969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.374969 (E_RNA)
where:
Base-Base interactions energy: -128.729
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.032
local terms energy: -63.613671
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -9.289
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -172.479801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.479801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.479801 (E_RNA)
where:
Base-Base interactions energy: -105.343
where: short stacking energy: -45.475
Base-Backbone interact. energy: -1.122
local terms energy: -66.015107
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -168.041189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.041189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.041189 (E_RNA)
where:
Base-Base interactions energy: -99.824
where: short stacking energy: -38.621
Base-Backbone interact. energy: -0.650
local terms energy: -67.566705
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -92.212435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212435 (E_RNA)
where:
Base-Base interactions energy: -44.439
where: short stacking energy: -29.300
Base-Backbone interact. energy: -0.300
local terms energy: -47.473135
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: 1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -96.101330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101330 (E_RNA)
where:
Base-Base interactions energy: -43.264
where: short stacking energy: -34.129
Base-Backbone interact. energy: -0.447
local terms energy: -52.390248
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -86.264049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.264049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.264049 (E_RNA)
where:
Base-Base interactions energy: -42.026
where: short stacking energy: -20.726
Base-Backbone interact. energy: -0.131
local terms energy: -44.106844
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -230.676966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.676966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.676966 (E_RNA)
where:
Base-Base interactions energy: -144.931
where: short stacking energy: -68.720
Base-Backbone interact. energy: -1.734
local terms energy: -84.012007
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -234.379321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.379321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.379321 (E_RNA)
where:
Base-Base interactions energy: -146.952
where: short stacking energy: -69.271
Base-Backbone interact. energy: -0.094
local terms energy: -87.332892
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -206.879815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.879815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.879815 (E_RNA)
where:
Base-Base interactions energy: -122.727
where: short stacking energy: -56.353
Base-Backbone interact. energy: 0.013
local terms energy: -84.166450
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -208.035728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.035728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.035728 (E_RNA)
where:
Base-Base interactions energy: -126.168
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.102
local terms energy: -81.766140
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -207.338043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.338043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.338043 (E_RNA)
where:
Base-Base interactions energy: -132.264
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.103
local terms energy: -74.971336
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -163.478008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.478008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.478008 (E_RNA)
where:
Base-Base interactions energy: -94.413
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.331
local terms energy: -68.734158
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -9.864
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: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -94.197148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.197148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.197148 (E_RNA)
where:
Base-Base interactions energy: -34.159
where: short stacking energy: -31.982
Base-Backbone interact. energy: -0.031
local terms energy: -60.006877
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.471
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: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -137.431177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.431177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.431177 (E_RNA)
where:
Base-Base interactions energy: -82.132
where: short stacking energy: -35.499
Base-Backbone interact. energy: -0.720
local terms energy: -54.579292
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -83.270898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.270898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.270898 (E_RNA)
where:
Base-Base interactions energy: -40.910
where: short stacking energy: -21.030
Base-Backbone interact. energy: 3.208
local terms energy: -45.569766
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -83.837371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.837371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.837371 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -28.878
Base-Backbone interact. energy: -0.195
local terms energy: -50.226785
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -6.607
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: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -229.452445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.452445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.452445 (E_RNA)
where:
Base-Base interactions energy: -155.471
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.653
local terms energy: -73.328403
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -203.443746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.443746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.443746 (E_RNA)
where:
Base-Base interactions energy: -125.165
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.089
local terms energy: -78.190177
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -13.221
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: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -214.384950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.384950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.384950 (E_RNA)
where:
Base-Base interactions energy: -136.577
where: short stacking energy: -55.421
Base-Backbone interact. energy: -2.126
local terms energy: -75.681568
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -210.067344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.067344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.067344 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -67.209
Base-Backbone interact. energy: -0.009
local terms energy: -86.002674
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -204.334501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.334501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.334501 (E_RNA)
where:
Base-Base interactions energy: -134.493
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.470
local terms energy: -69.371537
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -174.030780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.030780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.030780 (E_RNA)
where:
Base-Base interactions energy: -101.458
where: short stacking energy: -56.766
Base-Backbone interact. energy: 0.222
local terms energy: -72.794902
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -11.223
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: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -113.922539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.922539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.922539 (E_RNA)
where:
Base-Base interactions energy: -42.756
where: short stacking energy: -40.102
Base-Backbone interact. energy: -0.118
local terms energy: -71.048671
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -112.658810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.658810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.658810 (E_RNA)
where:
Base-Base interactions energy: -62.261
where: short stacking energy: -30.064
Base-Backbone interact. energy: -0.215
local terms energy: -50.183672
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: 1.999
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: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -87.802660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.802660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.802660 (E_RNA)
where:
Base-Base interactions energy: -36.364
where: short stacking energy: -23.656
Base-Backbone interact. energy: -0.320
local terms energy: -51.118696
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -84.358737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358737 (E_RNA)
where:
Base-Base interactions energy: -30.666
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.111
local terms energy: -53.582039
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -6.080
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: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -230.461578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.461578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.461578 (E_RNA)
where:
Base-Base interactions energy: -149.945
where: short stacking energy: -60.720
Base-Backbone interact. energy: -0.108
local terms energy: -80.409044
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -230.049610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.049610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.049610 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -60.528
Base-Backbone interact. energy: -0.012
local terms energy: -76.755185
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -213.542436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.542436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.542436 (E_RNA)
where:
Base-Base interactions energy: -134.378
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.007
local terms energy: -79.157346
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -213.736054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.736054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.736054 (E_RNA)
where:
Base-Base interactions energy: -137.292
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.062
local terms energy: -76.382354
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -190.573801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.573801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.573801 (E_RNA)
where:
Base-Base interactions energy: -122.657
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.101
local terms energy: -67.816547
where:
bonds (distance) C4'-P energy: -7.401
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -12.574
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: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -202.066428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.066428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.066428 (E_RNA)
where:
Base-Base interactions energy: -131.081
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.592
local terms energy: -70.393356
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -106.544227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.544227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.544227 (E_RNA)
where:
Base-Base interactions energy: -48.679
where: short stacking energy: -26.368
Base-Backbone interact. energy: -0.093
local terms energy: -57.772370
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -122.373410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.373410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.373410 (E_RNA)
where:
Base-Base interactions energy: -60.741
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.012
local terms energy: -61.620047
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -6.049
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -12.673
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: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -91.287190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.287190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.287190 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -31.573
Base-Backbone interact. energy: 2.888
local terms energy: -59.995403
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -82.813851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.813851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.813851 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -19.806
Base-Backbone interact. energy: -0.754
local terms energy: -47.473011
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.421
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: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -223.245927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.245927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.245927 (E_RNA)
where:
Base-Base interactions energy: -150.359
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.099
local terms energy: -72.787260
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -237.604485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.604485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.604485 (E_RNA)
where:
Base-Base interactions energy: -155.010
where: short stacking energy: -80.687
Base-Backbone interact. energy: -0.115
local terms energy: -82.479508
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -211.271574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.271574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.271574 (E_RNA)
where:
Base-Base interactions energy: -135.971
where: short stacking energy: -60.684
Base-Backbone interact. energy: -0.025
local terms energy: -75.275581
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -197.382745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.382745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.382745 (E_RNA)
where:
Base-Base interactions energy: -126.046
where: short stacking energy: -55.997
Base-Backbone interact. energy: -0.255
local terms energy: -71.081864
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -202.002197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002197 (E_RNA)
where:
Base-Base interactions energy: -132.197
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.137
local terms energy: -69.668520
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -151.938431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.938431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.938431 (E_RNA)
where:
Base-Base interactions energy: -86.565
where: short stacking energy: -42.566
Base-Backbone interact. energy: -0.181
local terms energy: -65.192295
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -112.133181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.133181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.133181 (E_RNA)
where:
Base-Base interactions energy: -54.029
where: short stacking energy: -29.459
Base-Backbone interact. energy: -0.870
local terms energy: -57.234613
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -113.943245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.943245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.943245 (E_RNA)
where:
Base-Base interactions energy: -52.339
where: short stacking energy: -33.620
Base-Backbone interact. energy: 0.252
local terms energy: -61.856907
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -93.096226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.096226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.096226 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -31.521
Base-Backbone interact. energy: -1.062
local terms energy: -60.577444
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -8.175
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: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -81.691982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.691982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.691982 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -21.670
Base-Backbone interact. energy: 1.223
local terms energy: -53.204332
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -11.193
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: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -232.009034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.009034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.009034 (E_RNA)
where:
Base-Base interactions energy: -154.858
where: short stacking energy: -77.686
Base-Backbone interact. energy: -0.006
local terms energy: -77.145309
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -225.494348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.494348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.494348 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -64.553
Base-Backbone interact. energy: -0.092
local terms energy: -80.297159
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -230.972440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.972440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.972440 (E_RNA)
where:
Base-Base interactions energy: -155.523
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.953
local terms energy: -74.497332
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -212.827771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.827771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.827771 (E_RNA)
where:
Base-Base interactions energy: -138.567
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.611
local terms energy: -73.650141
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -191.130611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.130611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.130611 (E_RNA)
where:
Base-Base interactions energy: -118.850
where: short stacking energy: -63.091
Base-Backbone interact. energy: 0.421
local terms energy: -72.701303
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -184.109519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.109519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.109519 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.302
local terms energy: -64.083136
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -102.717265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.717265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.717265 (E_RNA)
where:
Base-Base interactions energy: -52.448
where: short stacking energy: -28.812
Base-Backbone interact. energy: 0.657
local terms energy: -50.925923
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.100
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: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -100.227835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.227835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.227835 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.792
local terms energy: -61.302152
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -101.996114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.996114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.996114 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -35.522
Base-Backbone interact. energy: -0.225
local terms energy: -63.004846
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -4.419
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: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -83.094161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.094161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.094161 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.151
local terms energy: -53.047100
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -228.124184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.124184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.124184 (E_RNA)
where:
Base-Base interactions energy: -141.578
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.105
local terms energy: -86.441163
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -18.974
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: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -232.348462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.348462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.348462 (E_RNA)
where:
Base-Base interactions energy: -148.518
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.183
local terms energy: -83.647506
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -213.372404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.372404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.372404 (E_RNA)
where:
Base-Base interactions energy: -147.143
where: short stacking energy: -50.827
Base-Backbone interact. energy: 1.478
local terms energy: -67.707158
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -210.906431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.906431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.906431 (E_RNA)
where:
Base-Base interactions energy: -137.507
where: short stacking energy: -49.375
Base-Backbone interact. energy: -0.014
local terms energy: -73.385565
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -192.189777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.189777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.189777 (E_RNA)
where:
Base-Base interactions energy: -125.246
where: short stacking energy: -56.931
Base-Backbone interact. energy: -0.558
local terms energy: -66.386120
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -14.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -195.650722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.650722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.650722 (E_RNA)
where:
Base-Base interactions energy: -122.831
where: short stacking energy: -58.280
Base-Backbone interact. energy: 1.308
local terms energy: -74.127747
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -14.064
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: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -109.307415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.307415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.307415 (E_RNA)
where:
Base-Base interactions energy: -52.631
where: short stacking energy: -38.484
Base-Backbone interact. energy: -0.228
local terms energy: -56.448415
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -88.132134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.132134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.132134 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.385
local terms energy: -48.501235
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -102.877702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.877702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.877702 (E_RNA)
where:
Base-Base interactions energy: -42.319
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.331
local terms energy: -60.227954
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -84.381091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.381091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.381091 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -28.565
Base-Backbone interact. energy: 1.247
local terms energy: -51.288100
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -235.624797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.624797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.624797 (E_RNA)
where:
Base-Base interactions energy: -156.028
where: short stacking energy: -65.489
Base-Backbone interact. energy: -1.318
local terms energy: -78.279072
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -228.111369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.111369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.111369 (E_RNA)
where:
Base-Base interactions energy: -147.504
where: short stacking energy: -68.106
Base-Backbone interact. energy: 0.042
local terms energy: -80.649564
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -198.692380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.692380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.692380 (E_RNA)
where:
Base-Base interactions energy: -124.494
where: short stacking energy: -51.106
Base-Backbone interact. energy: -0.067
local terms energy: -74.131413
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -14.109
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: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -208.693933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.693933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.693933 (E_RNA)
where:
Base-Base interactions energy: -132.274
where: short stacking energy: -59.999
Base-Backbone interact. energy: -1.021
local terms energy: -75.399405
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -213.863814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.863814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.863814 (E_RNA)
where:
Base-Base interactions energy: -136.140
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.212
local terms energy: -77.511773
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -147.791778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.791778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.791778 (E_RNA)
where:
Base-Base interactions energy: -82.629
where: short stacking energy: -43.252
Base-Backbone interact. energy: -1.329
local terms energy: -63.833800
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -7.037
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: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -124.801413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.801413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.801413 (E_RNA)
where:
Base-Base interactions energy: -63.481
where: short stacking energy: -28.670
Base-Backbone interact. energy: 0.124
local terms energy: -61.444818
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -11.762
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: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -93.446137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.446137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.446137 (E_RNA)
where:
Base-Base interactions energy: -58.229
where: short stacking energy: -27.620
Base-Backbone interact. energy: -0.203
local terms energy: -35.014649
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -4.439
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: 0.174
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: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -83.909300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909300 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -29.639
Base-Backbone interact. energy: 1.331
local terms energy: -54.553076
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -1.091
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: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -84.503311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.503311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.503311 (E_RNA)
where:
Base-Base interactions energy: -29.917
where: short stacking energy: -26.920
Base-Backbone interact. energy: -0.550
local terms energy: -54.036232
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -242.453984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.453984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.453984 (E_RNA)
where:
Base-Base interactions energy: -162.723
where: short stacking energy: -70.190
Base-Backbone interact. energy: -0.154
local terms energy: -79.577011
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -230.939215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.939215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.939215 (E_RNA)
where:
Base-Base interactions energy: -150.396
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.924
local terms energy: -79.619458
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -209.184250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.184250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.184250 (E_RNA)
where:
Base-Base interactions energy: -135.945
where: short stacking energy: -70.614
Base-Backbone interact. energy: -0.052
local terms energy: -73.187381
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -219.853817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.853817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.853817 (E_RNA)
where:
Base-Base interactions energy: -139.093
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.026
local terms energy: -80.734975
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -194.045680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.045680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.045680 (E_RNA)
where:
Base-Base interactions energy: -127.434
where: short stacking energy: -48.111
Base-Backbone interact. energy: 0.191
local terms energy: -66.801823
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -162.488237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.488237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.488237 (E_RNA)
where:
Base-Base interactions energy: -101.390
where: short stacking energy: -58.611
Base-Backbone interact. energy: -0.597
local terms energy: -60.501822
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -13.885
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: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -99.735009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.735009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.735009 (E_RNA)
where:
Base-Base interactions energy: -45.817
where: short stacking energy: -18.477
Base-Backbone interact. energy: -0.892
local terms energy: -53.026268
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -99.496486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.496486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.496486 (E_RNA)
where:
Base-Base interactions energy: -44.095
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.322
local terms energy: -55.079763
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -88.355980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.355980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.355980 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.140
local terms energy: -53.701565
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -78.858066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858066 (E_RNA)
where:
Base-Base interactions energy: -25.163
where: short stacking energy: -24.169
Base-Backbone interact. energy: -0.183
local terms energy: -53.512389
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -234.609892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.609892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.609892 (E_RNA)
where:
Base-Base interactions energy: -147.592
where: short stacking energy: -78.860
Base-Backbone interact. energy: -0.667
local terms energy: -86.350772
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -23.666
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: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -228.971342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.971342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.971342 (E_RNA)
where:
Base-Base interactions energy: -143.989
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.619
local terms energy: -84.363679
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -221.173538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.173538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.173538 (E_RNA)
where:
Base-Base interactions energy: -131.910
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.088
local terms energy: -89.174958
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -21.259
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: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -197.441476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.441476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441476 (E_RNA)
where:
Base-Base interactions energy: -119.117
where: short stacking energy: -64.405
Base-Backbone interact. energy: -1.110
local terms energy: -77.215193
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -198.162221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.162221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.162221 (E_RNA)
where:
Base-Base interactions energy: -140.922
where: short stacking energy: -57.680
Base-Backbone interact. energy: -0.062
local terms energy: -57.178773
where:
bonds (distance) C4'-P energy: -6.732
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -12.253
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: 84
Temperature: 1.150000
Total energy: -184.442900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.442900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.442900 (E_RNA)
where:
Base-Base interactions energy: -111.883
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.032
local terms energy: -72.528362
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -7.669
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: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -136.533977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.533977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.533977 (E_RNA)
where:
Base-Base interactions energy: -74.802
where: short stacking energy: -31.965
Base-Backbone interact. energy: -0.301
local terms energy: -61.431029
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -8.888
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: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -123.803359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.803359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.803359 (E_RNA)
where:
Base-Base interactions energy: -71.777
where: short stacking energy: -34.727
Base-Backbone interact. energy: 0.191
local terms energy: -52.216596
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -82.626309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.626309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.626309 (E_RNA)
where:
Base-Base interactions energy: -30.893
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.205
local terms energy: -51.528649
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -108.483810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.483810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.483810 (E_RNA)
where:
Base-Base interactions energy: -57.577
where: short stacking energy: -17.060
Base-Backbone interact. energy: -1.315
local terms energy: -49.591354
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: 1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -235.098416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.098416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.098416 (E_RNA)
where:
Base-Base interactions energy: -150.929
where: short stacking energy: -76.376
Base-Backbone interact. energy: -0.109
local terms energy: -84.060233
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -232.368278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.368278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.368278 (E_RNA)
where:
Base-Base interactions energy: -150.884
where: short stacking energy: -73.457
Base-Backbone interact. energy: -0.026
local terms energy: -81.458553
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -11.742
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: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -216.662085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.662085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.662085 (E_RNA)
where:
Base-Base interactions energy: -132.763
where: short stacking energy: -69.366
Base-Backbone interact. energy: -0.604
local terms energy: -83.295237
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -213.139968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.139968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.139968 (E_RNA)
where:
Base-Base interactions energy: -141.417
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.824
local terms energy: -70.899485
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -195.485006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.485006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.485006 (E_RNA)
where:
Base-Base interactions energy: -124.628
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.023
local terms energy: -70.834141
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -183.359351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.359351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.359351 (E_RNA)
where:
Base-Base interactions energy: -111.715
where: short stacking energy: -56.638
Base-Backbone interact. energy: 0.279
local terms energy: -71.923417
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -12.523
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: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -142.316345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.316345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.316345 (E_RNA)
where:
Base-Base interactions energy: -81.777
where: short stacking energy: -34.510
Base-Backbone interact. energy: -0.053
local terms energy: -60.485636
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -14.417
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: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -101.107665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.107665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.107665 (E_RNA)
where:
Base-Base interactions energy: -46.831
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.185
local terms energy: -54.092140
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -7.702
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: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -86.161008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.161008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.161008 (E_RNA)
where:
Base-Base interactions energy: -30.179
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.248
local terms energy: -55.734042
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: 1.311
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: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -81.284334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284334 (E_RNA)
where:
Base-Base interactions energy: -17.530
where: short stacking energy: -17.530
Base-Backbone interact. energy: -0.137
local terms energy: -63.617780
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -236.866224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.866224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.866224 (E_RNA)
where:
Base-Base interactions energy: -151.809
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.032
local terms energy: -85.024347
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -215.324831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.324831 (E_RNA)
where:
Base-Base interactions energy: -128.735
where: short stacking energy: -69.598
Base-Backbone interact. energy: -0.001
local terms energy: -86.588647
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -24.344
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: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -221.522019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.522019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.522019 (E_RNA)
where:
Base-Base interactions energy: -147.502
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.279
local terms energy: -73.740837
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -222.704759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.704759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.704759 (E_RNA)
where:
Base-Base interactions energy: -139.986
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.039
local terms energy: -82.680446
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -165.536247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.536247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.536247 (E_RNA)
where:
Base-Base interactions energy: -108.450
where: short stacking energy: -43.275
Base-Backbone interact. energy: -0.483
local terms energy: -56.602973
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -188.927448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.927448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.927448 (E_RNA)
where:
Base-Base interactions energy: -124.492
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.123
local terms energy: -64.312271
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -173.659435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.659435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.659435 (E_RNA)
where:
Base-Base interactions energy: -111.641
where: short stacking energy: -49.536
Base-Backbone interact. energy: -0.323
local terms energy: -61.695341
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -10.132
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: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -86.022559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022559 (E_RNA)
where:
Base-Base interactions energy: -31.824
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.012
local terms energy: -54.186274
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -87.969997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.969997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.969997 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -15.369
Base-Backbone interact. energy: -0.104
local terms energy: -55.661450
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -91.303890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.303890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.303890 (E_RNA)
where:
Base-Base interactions energy: -33.298
where: short stacking energy: -32.200
Base-Backbone interact. energy: -0.478
local terms energy: -57.527748
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -245.923384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.923384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.923384 (E_RNA)
where:
Base-Base interactions energy: -165.934
where: short stacking energy: -79.494
Base-Backbone interact. energy: -0.779
local terms energy: -79.210104
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -246.139593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.139593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.139593 (E_RNA)
where:
Base-Base interactions energy: -167.366
where: short stacking energy: -64.974
Base-Backbone interact. energy: -0.424
local terms energy: -78.349188
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -212.432986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.432986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.432986 (E_RNA)
where:
Base-Base interactions energy: -130.330
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.919
local terms energy: -81.183932
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -22.383
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: 87
Temperature: 1.050000
Total energy: -200.152003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.152003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.152003 (E_RNA)
where:
Base-Base interactions energy: -124.447
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.811
local terms energy: -74.894234
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -192.940577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.940577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.940577 (E_RNA)
where:
Base-Base interactions energy: -125.462
where: short stacking energy: -52.236
Base-Backbone interact. energy: -1.474
local terms energy: -66.004481
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -197.779654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.779654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.779654 (E_RNA)
where:
Base-Base interactions energy: -122.447
where: short stacking energy: -57.561
Base-Backbone interact. energy: -0.132
local terms energy: -75.201196
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -184.030259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.030259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.030259 (E_RNA)
where:
Base-Base interactions energy: -114.791
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.127
local terms energy: -69.112269
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -104.839852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.839852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.839852 (E_RNA)
where:
Base-Base interactions energy: -42.950
where: short stacking energy: -41.493
Base-Backbone interact. energy: 1.710
local terms energy: -63.600075
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -94.591363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.591363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.591363 (E_RNA)
where:
Base-Base interactions energy: -33.227
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.090
local terms energy: -61.274652
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -84.255764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.255764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.255764 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -21.643
Base-Backbone interact. energy: -0.099
local terms energy: -57.375969
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -250.682325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.682325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.682325 (E_RNA)
where:
Base-Base interactions energy: -169.855
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.558
local terms energy: -80.269655
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -230.717008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.717008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.717008 (E_RNA)
where:
Base-Base interactions energy: -142.031
where: short stacking energy: -67.560
Base-Backbone interact. energy: -0.062
local terms energy: -88.624306
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -203.103992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.103992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.103992 (E_RNA)
where:
Base-Base interactions energy: -130.184
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.064
local terms energy: -72.856005
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -212.049596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.049596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.049596 (E_RNA)
where:
Base-Base interactions energy: -125.430
where: short stacking energy: -62.916
Base-Backbone interact. energy: -0.037
local terms energy: -86.582430
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -206.124093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.124093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.124093 (E_RNA)
where:
Base-Base interactions energy: -127.130
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.757
local terms energy: -78.236641
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -194.772996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.772996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.772996 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -51.200
Base-Backbone interact. energy: -0.105
local terms energy: -69.856273
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -12.645
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: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -185.016444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.016444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.016444 (E_RNA)
where:
Base-Base interactions energy: -123.766
where: short stacking energy: -52.071
Base-Backbone interact. energy: -0.137
local terms energy: -61.113528
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -103.701162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.701162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.701162 (E_RNA)
where:
Base-Base interactions energy: -43.061
where: short stacking energy: -37.473
Base-Backbone interact. energy: -0.230
local terms energy: -60.410073
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -4.323
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: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -111.744412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.744412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.744412 (E_RNA)
where:
Base-Base interactions energy: -53.517
where: short stacking energy: -25.383
Base-Backbone interact. energy: -0.359
local terms energy: -57.868237
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -3.046
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: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -81.567015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.567015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.567015 (E_RNA)
where:
Base-Base interactions energy: -27.984
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.060
local terms energy: -53.522977
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -252.124645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.124645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.124645 (E_RNA)
where:
Base-Base interactions energy: -166.426
where: short stacking energy: -63.329
Base-Backbone interact. energy: -1.184
local terms energy: -84.514629
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -231.070764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.070764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.070764 (E_RNA)
where:
Base-Base interactions energy: -148.369
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.058
local terms energy: -82.643845
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -21.963
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: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -197.802086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.802086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.802086 (E_RNA)
where:
Base-Base interactions energy: -121.370
where: short stacking energy: -71.145
Base-Backbone interact. energy: -0.680
local terms energy: -75.752305
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -192.250426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.250426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.250426 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -57.685
Base-Backbone interact. energy: 0.630
local terms energy: -72.775542
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -183.405321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.405321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.405321 (E_RNA)
where:
Base-Base interactions energy: -107.647
where: short stacking energy: -44.011
Base-Backbone interact. energy: -0.175
local terms energy: -75.582841
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -185.059221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.059221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.059221 (E_RNA)
where:
Base-Base interactions energy: -123.215
where: short stacking energy: -53.892
Base-Backbone interact. energy: 0.122
local terms energy: -61.965891
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -197.765398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.765398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.765398 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.079
local terms energy: -72.849646
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -22.289
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: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -140.525114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.525114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.525114 (E_RNA)
where:
Base-Base interactions energy: -83.121
where: short stacking energy: -45.264
Base-Backbone interact. energy: -0.806
local terms energy: -56.598184
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -83.024816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.024816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.024816 (E_RNA)
where:
Base-Base interactions energy: -30.232
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.186
local terms energy: -52.606516
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -88.756583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.756583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.756583 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -28.118
Base-Backbone interact. energy: -0.095
local terms energy: -51.905600
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -3.082
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: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -253.068251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.068251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.068251 (E_RNA)
where:
Base-Base interactions energy: -170.366
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.178
local terms energy: -82.524636
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -222.941144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.941144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.941144 (E_RNA)
where:
Base-Base interactions energy: -140.683
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.129
local terms energy: -82.129046
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -215.129933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.129933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.129933 (E_RNA)
where:
Base-Base interactions energy: -133.269
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.753
local terms energy: -81.107203
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -19.930
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: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -207.507316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.507316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.507316 (E_RNA)
where:
Base-Base interactions energy: -131.963
where: short stacking energy: -65.951
Base-Backbone interact. energy: -1.146
local terms energy: -74.397880
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -201.991707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.991707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.991707 (E_RNA)
where:
Base-Base interactions energy: -124.866
where: short stacking energy: -54.975
Base-Backbone interact. energy: -0.136
local terms energy: -76.990056
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -167.892924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.892924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.892924 (E_RNA)
where:
Base-Base interactions energy: -109.006
where: short stacking energy: -44.724
Base-Backbone interact. energy: -1.617
local terms energy: -57.270159
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -11.245
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: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -202.095087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.095087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.095087 (E_RNA)
where:
Base-Base interactions energy: -134.387
where: short stacking energy: -48.924
Base-Backbone interact. energy: -0.478
local terms energy: -67.230072
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -14.593
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: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -143.952562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.952562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.952562 (E_RNA)
where:
Base-Base interactions energy: -87.458
where: short stacking energy: -37.251
Base-Backbone interact. energy: -1.045
local terms energy: -55.449641
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -5.502
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: 90
Temperature: 1.300000
Total energy: -89.250585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.250585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.250585 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.238
local terms energy: -57.531193
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -93.813375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.813375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.813375 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -34.527
Base-Backbone interact. energy: -0.188
local terms energy: -59.099031
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -9.207
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: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -257.538041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.538041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.538041 (E_RNA)
where:
Base-Base interactions energy: -170.821
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.323
local terms energy: -86.394024
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -17.872
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: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -224.582469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.582469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.582469 (E_RNA)
where:
Base-Base interactions energy: -145.865
where: short stacking energy: -59.666
Base-Backbone interact. energy: -1.022
local terms energy: -77.695507
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -221.602621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.602621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.602621 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -67.512
Base-Backbone interact. energy: -2.057
local terms energy: -86.204487
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -203.394585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.394585 (E_RNA)
where:
Base-Base interactions energy: -129.095
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.149
local terms energy: -74.151352
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -13.940
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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -175.676364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676364 (E_RNA)
where:
Base-Base interactions energy: -109.586
where: short stacking energy: -49.205
Base-Backbone interact. energy: -0.778
local terms energy: -65.312003
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -204.338649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.338649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.338649 (E_RNA)
where:
Base-Base interactions energy: -132.878
where: short stacking energy: -62.081
Base-Backbone interact. energy: -0.056
local terms energy: -71.404447
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.691
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: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -176.355317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.355317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.355317 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -50.752
Base-Backbone interact. energy: -1.061
local terms energy: -71.634295
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -169.675724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.675724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.675724 (E_RNA)
where:
Base-Base interactions energy: -98.664
where: short stacking energy: -43.557
Base-Backbone interact. energy: -1.523
local terms energy: -69.488648
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -85.421216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.421216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.421216 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -29.486
Base-Backbone interact. energy: 0.473
local terms energy: -56.408524
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -79.214770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.214770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.214770 (E_RNA)
where:
Base-Base interactions energy: -25.229
where: short stacking energy: -23.448
Base-Backbone interact. energy: -0.697
local terms energy: -53.288414
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -263.151070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.151070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.151070 (E_RNA)
where:
Base-Base interactions energy: -183.883
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.321
local terms energy: -78.946379
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -18.426
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: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -217.992738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.992738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.992738 (E_RNA)
where:
Base-Base interactions energy: -122.833
where: short stacking energy: -67.772
Base-Backbone interact. energy: -0.023
local terms energy: -95.136194
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -25.708
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: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -213.845575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.845575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.845575 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.054
local terms energy: -84.819178
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -209.648086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.648086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.648086 (E_RNA)
where:
Base-Base interactions energy: -131.275
where: short stacking energy: -61.464
Base-Backbone interact. energy: -0.409
local terms energy: -77.963258
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -16.674
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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -201.598642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.598642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.598642 (E_RNA)
where:
Base-Base interactions energy: -134.865
where: short stacking energy: -59.577
Base-Backbone interact. energy: -0.510
local terms energy: -66.223290
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -206.092103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.092103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.092103 (E_RNA)
where:
Base-Base interactions energy: -130.554
where: short stacking energy: -59.791
Base-Backbone interact. energy: -0.413
local terms energy: -75.125058
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -13.907
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: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -166.990960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.990960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.990960 (E_RNA)
where:
Base-Base interactions energy: -107.808
where: short stacking energy: -44.811
Base-Backbone interact. energy: 0.095
local terms energy: -59.277665
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -173.167971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.167971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.167971 (E_RNA)
where:
Base-Base interactions energy: -105.204
where: short stacking energy: -52.019
Base-Backbone interact. energy: -0.076
local terms energy: -67.887498
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -86.582649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.582649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.582649 (E_RNA)
where:
Base-Base interactions energy: -23.300
where: short stacking energy: -23.300
Base-Backbone interact. energy: -0.064
local terms energy: -63.218344
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -83.974477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.974477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.974477 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.172
local terms energy: -52.916692
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -8.071
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: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -255.124788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.124788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.124788 (E_RNA)
where:
Base-Base interactions energy: -164.533
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.099
local terms energy: -90.492955
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -208.569233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.569233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.569233 (E_RNA)
where:
Base-Base interactions energy: -129.396
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.799
local terms energy: -78.373946
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -230.879153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.879153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.879153 (E_RNA)
where:
Base-Base interactions energy: -144.736
where: short stacking energy: -66.319
Base-Backbone interact. energy: -0.473
local terms energy: -85.669677
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -213.831647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.831647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.831647 (E_RNA)
where:
Base-Base interactions energy: -149.904
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.448
local terms energy: -63.479419
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -12.111
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: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -200.988426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.988426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.988426 (E_RNA)
where:
Base-Base interactions energy: -126.529
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.117
local terms energy: -74.342635
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -186.288704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.288704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.288704 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -60.605
Base-Backbone interact. energy: -1.075
local terms energy: -63.325962
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -177.778744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.778744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.778744 (E_RNA)
where:
Base-Base interactions energy: -106.041
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.010
local terms energy: -71.728082
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -156.852510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.852510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.852510 (E_RNA)
where:
Base-Base interactions energy: -101.492
where: short stacking energy: -47.302
Base-Backbone interact. energy: 0.728
local terms energy: -56.088638
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: 2.071
tors. eta vs tors. theta energy: -11.597
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: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -92.745056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.745056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.745056 (E_RNA)
where:
Base-Base interactions energy: -31.938
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.359
local terms energy: -60.447591
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -8.063
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: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -86.623558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.623558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.623558 (E_RNA)
where:
Base-Base interactions energy: -33.079
where: short stacking energy: -28.706
Base-Backbone interact. energy: -0.283
local terms energy: -53.261142
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -236.229309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.229309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.229309 (E_RNA)
where:
Base-Base interactions energy: -155.932
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.189
local terms energy: -80.108240
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -201.008595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.008595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.008595 (E_RNA)
where:
Base-Base interactions energy: -122.095
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.250
local terms energy: -78.663960
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -226.198685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.198685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.198685 (E_RNA)
where:
Base-Base interactions energy: -150.412
where: short stacking energy: -73.247
Base-Backbone interact. energy: -0.455
local terms energy: -75.331266
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -19.988
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: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -213.586629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.586629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.586629 (E_RNA)
where:
Base-Base interactions energy: -139.727
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.026
local terms energy: -73.833954
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -199.944940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.944940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.944940 (E_RNA)
where:
Base-Base interactions energy: -133.493
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.002
local terms energy: -66.450119
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -194.947504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.947504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.947504 (E_RNA)
where:
Base-Base interactions energy: -123.845
where: short stacking energy: -56.348
Base-Backbone interact. energy: -0.656
local terms energy: -70.445728
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -168.688200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.688200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.688200 (E_RNA)
where:
Base-Base interactions energy: -97.954
where: short stacking energy: -53.657
Base-Backbone interact. energy: -0.711
local terms energy: -70.023374
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -164.487709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.487709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.487709 (E_RNA)
where:
Base-Base interactions energy: -103.620
where: short stacking energy: -51.922
Base-Backbone interact. energy: -0.011
local terms energy: -60.856353
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -14.266
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -91.853556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.853556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.853556 (E_RNA)
where:
Base-Base interactions energy: -34.958
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.816
local terms energy: -56.079175
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -76.817592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.817592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.817592 (E_RNA)
where:
Base-Base interactions energy: -24.382
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.074
local terms energy: -52.361313
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -243.480964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.480964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.480964 (E_RNA)
where:
Base-Base interactions energy: -164.903
where: short stacking energy: -69.001
Base-Backbone interact. energy: 0.454
local terms energy: -79.031873
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -216.786400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.786400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.786400 (E_RNA)
where:
Base-Base interactions energy: -143.720
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.670
local terms energy: -72.396412
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -213.337008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.337008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.337008 (E_RNA)
where:
Base-Base interactions energy: -130.240
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.033
local terms energy: -83.063939
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -199.552902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.552902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.552902 (E_RNA)
where:
Base-Base interactions energy: -119.236
where: short stacking energy: -59.751
Base-Backbone interact. energy: 0.323
local terms energy: -80.640160
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -214.074192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.074192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.074192 (E_RNA)
where:
Base-Base interactions energy: -145.167
where: short stacking energy: -69.030
Base-Backbone interact. energy: -0.089
local terms energy: -68.817713
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -187.601985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.601985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.601985 (E_RNA)
where:
Base-Base interactions energy: -113.891
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.005
local terms energy: -73.706348
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -157.251739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.251739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.251739 (E_RNA)
where:
Base-Base interactions energy: -87.897
where: short stacking energy: -52.091
Base-Backbone interact. energy: -0.383
local terms energy: -68.972392
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -9.615
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -98.205311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.205311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.205311 (E_RNA)
where:
Base-Base interactions energy: -40.909
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.279
local terms energy: -57.016514
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -8.060
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: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -159.966156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.966156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.966156 (E_RNA)
where:
Base-Base interactions energy: -91.816
where: short stacking energy: -45.195
Base-Backbone interact. energy: -0.301
local terms energy: -67.848599
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -88.484211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484211 (E_RNA)
where:
Base-Base interactions energy: -31.436
where: short stacking energy: -21.511
Base-Backbone interact. energy: -0.315
local terms energy: -56.733275
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -255.056466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.056466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.056466 (E_RNA)
where:
Base-Base interactions energy: -170.579
where: short stacking energy: -78.256
Base-Backbone interact. energy: 0.661
local terms energy: -85.138585
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -23.002
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: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -219.886197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.886197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.886197 (E_RNA)
where:
Base-Base interactions energy: -143.275
where: short stacking energy: -69.306
Base-Backbone interact. energy: 0.645
local terms energy: -77.255995
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -221.011171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011171 (E_RNA)
where:
Base-Base interactions energy: -138.746
where: short stacking energy: -76.439
Base-Backbone interact. energy: 0.219
local terms energy: -82.484105
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -212.956576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.956576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.956576 (E_RNA)
where:
Base-Base interactions energy: -141.654
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.633
local terms energy: -70.669578
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -197.553312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.553312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.553312 (E_RNA)
where:
Base-Base interactions energy: -119.558
where: short stacking energy: -51.894
Base-Backbone interact. energy: 0.602
local terms energy: -78.597669
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -13.606
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: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -209.208351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.208351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.208351 (E_RNA)
where:
Base-Base interactions energy: -135.142
where: short stacking energy: -64.297
Base-Backbone interact. energy: 1.484
local terms energy: -75.549615
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -160.036001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.036001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.036001 (E_RNA)
where:
Base-Base interactions energy: -104.635
where: short stacking energy: -37.828
Base-Backbone interact. energy: -0.243
local terms energy: -55.158541
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -98.672641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.672641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.672641 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.114
local terms energy: -54.783221
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -5.197
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: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -140.105022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.105022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.105022 (E_RNA)
where:
Base-Base interactions energy: -78.923
where: short stacking energy: -37.792
Base-Backbone interact. energy: -0.176
local terms energy: -61.006068
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.401638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401638 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.727
local terms energy: -51.104978
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -249.676701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.676701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.676701 (E_RNA)
where:
Base-Base interactions energy: -165.370
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.504
local terms energy: -83.802057
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -214.102963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.102963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102963 (E_RNA)
where:
Base-Base interactions energy: -133.955
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.185
local terms energy: -79.963163
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -221.003581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.003581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.003581 (E_RNA)
where:
Base-Base interactions energy: -138.617
where: short stacking energy: -78.811
Base-Backbone interact. energy: -0.216
local terms energy: -82.170803
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -23.850
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -216.737413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.737413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.737413 (E_RNA)
where:
Base-Base interactions energy: -138.821
where: short stacking energy: -66.897
Base-Backbone interact. energy: -0.690
local terms energy: -77.226361
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -18.160
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: 5, replica: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -202.420264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.420264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.420264 (E_RNA)
where:
Base-Base interactions energy: -131.692
where: short stacking energy: -51.710
Base-Backbone interact. energy: -0.118
local terms energy: -70.610070
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -164.326684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.326684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.326684 (E_RNA)
where:
Base-Base interactions energy: -104.200
where: short stacking energy: -50.706
Base-Backbone interact. energy: -0.845
local terms energy: -59.282452
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -193.833542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.833542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.833542 (E_RNA)
where:
Base-Base interactions energy: -121.150
where: short stacking energy: -57.014
Base-Backbone interact. energy: -0.087
local terms energy: -72.597262
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -176.014008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.014008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.014008 (E_RNA)
where:
Base-Base interactions energy: -113.043
where: short stacking energy: -45.517
Base-Backbone interact. energy: -0.245
local terms energy: -62.726284
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -97.928497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.928497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.928497 (E_RNA)
where:
Base-Base interactions energy: -49.247
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.483
local terms energy: -48.198265
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -80.311899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.311899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.311899 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -21.726
Base-Backbone interact. energy: 0.118
local terms energy: -46.073391
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -1.627
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -268.146966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.146966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.146966 (E_RNA)
where:
Base-Base interactions energy: -177.314
where: short stacking energy: -68.639
Base-Backbone interact. energy: -0.287
local terms energy: -90.546572
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -22.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -205.738861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.738861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.738861 (E_RNA)
where:
Base-Base interactions energy: -128.763
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.987
local terms energy: -75.988349
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -204.524809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.524809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.524809 (E_RNA)
where:
Base-Base interactions energy: -131.147
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.149
local terms energy: -73.228960
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -14.522
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: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -189.497310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.497310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.497310 (E_RNA)
where:
Base-Base interactions energy: -110.631
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.339
local terms energy: -78.527268
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -200.281590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.281590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.281590 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -54.322
Base-Backbone interact. energy: -0.381
local terms energy: -67.399898
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -158.957737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.957737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.957737 (E_RNA)
where:
Base-Base interactions energy: -99.377
where: short stacking energy: -38.113
Base-Backbone interact. energy: 0.659
local terms energy: -60.239838
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -7.058
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: 98
Temperature: 1.200000
Total energy: -184.228882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.228882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.228882 (E_RNA)
where:
Base-Base interactions energy: -113.085
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.574
local terms energy: -70.569770
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -156.235218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.235218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.235218 (E_RNA)
where:
Base-Base interactions energy: -98.489
where: short stacking energy: -43.640
Base-Backbone interact. energy: 0.993
local terms energy: -58.739342
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -84.637422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637422 (E_RNA)
where:
Base-Base interactions energy: -34.098
where: short stacking energy: -23.074
Base-Backbone interact. energy: -0.502
local terms energy: -50.036828
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: 0.857
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: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -91.457129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.457129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.457129 (E_RNA)
where:
Base-Base interactions energy: -32.320
where: short stacking energy: -27.236
Base-Backbone interact. energy: -0.805
local terms energy: -58.332484
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -259.594364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.594364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.594364 (E_RNA)
where:
Base-Base interactions energy: -176.634
where: short stacking energy: -68.982
Base-Backbone interact. energy: -0.340
local terms energy: -82.620780
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -21.480
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -231.044301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.044301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.044301 (E_RNA)
where:
Base-Base interactions energy: -156.606
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.256
local terms energy: -74.181907
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -13.533
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: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -204.082969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.082969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.082969 (E_RNA)
where:
Base-Base interactions energy: -126.231
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.110
local terms energy: -77.741911
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -212.758498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.758498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.758498 (E_RNA)
where:
Base-Base interactions energy: -133.740
where: short stacking energy: -68.588
Base-Backbone interact. energy: -0.005
local terms energy: -79.013101
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -208.740875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.740875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.740875 (E_RNA)
where:
Base-Base interactions energy: -125.985
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.035
local terms energy: -82.721600
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -181.865799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.865799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.865799 (E_RNA)
where:
Base-Base interactions energy: -116.918
where: short stacking energy: -54.603
Base-Backbone interact. energy: -0.628
local terms energy: -64.319848
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -168.464840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.464840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.464840 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -48.212
Base-Backbone interact. energy: -0.094
local terms energy: -54.860475
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -159.879067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.879067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.879067 (E_RNA)
where:
Base-Base interactions energy: -95.468
where: short stacking energy: -40.894
Base-Backbone interact. energy: -0.333
local terms energy: -64.077829
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -107.694492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.694492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.694492 (E_RNA)
where:
Base-Base interactions energy: -49.717
where: short stacking energy: -23.752
Base-Backbone interact. energy: -1.325
local terms energy: -56.652362
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -88.268719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.268719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.268719 (E_RNA)
where:
Base-Base interactions energy: -37.876
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.227
local terms energy: -50.165735
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -2.792
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: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -259.710245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.710245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.710245 (E_RNA)
where:
Base-Base interactions energy: -175.865
where: short stacking energy: -76.622
Base-Backbone interact. energy: -0.391
local terms energy: -83.454234
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -239.101387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.101387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.101387 (E_RNA)
where:
Base-Base interactions energy: -156.158
where: short stacking energy: -70.649
Base-Backbone interact. energy: -1.590
local terms energy: -81.354162
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -216.684959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.684959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.684959 (E_RNA)
where:
Base-Base interactions energy: -140.856
where: short stacking energy: -60.265
Base-Backbone interact. energy: -0.079
local terms energy: -75.749512
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -206.552259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.552259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.552259 (E_RNA)
where:
Base-Base interactions energy: -124.401
where: short stacking energy: -72.897
Base-Backbone interact. energy: 0.445
local terms energy: -82.595544
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -173.131682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.131682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.131682 (E_RNA)
where:
Base-Base interactions energy: -112.601
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.283
local terms energy: -60.247830
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -203.505370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.505370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.505370 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -58.062
Base-Backbone interact. energy: 0.690
local terms energy: -67.213012
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -177.258877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.258877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.258877 (E_RNA)
where:
Base-Base interactions energy: -107.342
where: short stacking energy: -58.255
Base-Backbone interact. energy: -0.037
local terms energy: -69.880194
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -156.608693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.608693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.608693 (E_RNA)
where:
Base-Base interactions energy: -99.615
where: short stacking energy: -42.538
Base-Backbone interact. energy: -1.234
local terms energy: -55.759330
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -5.936
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: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -96.323951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.323951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.323951 (E_RNA)
where:
Base-Base interactions energy: -42.796
where: short stacking energy: -23.911
Base-Backbone interact. energy: -0.174
local terms energy: -53.354797
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -70.921064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.921064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.921064 (E_RNA)
where:
Base-Base interactions energy: -27.115
where: short stacking energy: -12.645
Base-Backbone interact. energy: 3.159
local terms energy: -46.964481
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: 5.107
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: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -265.094184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.094184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.094184 (E_RNA)
where:
Base-Base interactions energy: -183.412
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.419
local terms energy: -81.263782
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -20.720
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: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -240.590294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.590294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.590294 (E_RNA)
where:
Base-Base interactions energy: -159.761
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.056
local terms energy: -80.772976
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -218.333587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.333587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.333587 (E_RNA)
where:
Base-Base interactions energy: -132.089
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.012
local terms energy: -86.233237
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -190.289524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.289524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.289524 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.743
local terms energy: -75.847362
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -187.651589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.651589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.651589 (E_RNA)
where:
Base-Base interactions energy: -115.102
where: short stacking energy: -49.883
Base-Backbone interact. energy: -0.293
local terms energy: -72.256567
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -188.868555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.868555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.868555 (E_RNA)
where:
Base-Base interactions energy: -119.716
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.415
local terms energy: -68.737060
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -171.505875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.505875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.505875 (E_RNA)
where:
Base-Base interactions energy: -108.101
where: short stacking energy: -51.462
Base-Backbone interact. energy: -0.314
local terms energy: -63.091438
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -12.503
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: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -141.510876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.510876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.510876 (E_RNA)
where:
Base-Base interactions energy: -82.980
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.767
local terms energy: -57.763616
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -5.932
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: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -95.041246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.041246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.041246 (E_RNA)
where:
Base-Base interactions energy: -37.938
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.130
local terms energy: -56.972977
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -11.861
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: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -79.740350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.740350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.740350 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -17.156
Base-Backbone interact. energy: 1.451
local terms energy: -52.697463
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: 2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -267.458248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.458248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.458248 (E_RNA)
where:
Base-Base interactions energy: -181.556
where: short stacking energy: -71.088
Base-Backbone interact. energy: -0.187
local terms energy: -85.715266
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -21.875
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: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -233.521833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.521833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.521833 (E_RNA)
where:
Base-Base interactions energy: -156.470
where: short stacking energy: -77.544
Base-Backbone interact. energy: -0.019
local terms energy: -77.033316
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -20.383
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: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -212.990621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.990621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.990621 (E_RNA)
where:
Base-Base interactions energy: -130.323
where: short stacking energy: -70.212
Base-Backbone interact. energy: -0.207
local terms energy: -82.460058
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -228.862703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.862703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.862703 (E_RNA)
where:
Base-Base interactions energy: -149.360
where: short stacking energy: -77.659
Base-Backbone interact. energy: -0.013
local terms energy: -79.490121
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.056
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: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -178.981729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.981729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.981729 (E_RNA)
where:
Base-Base interactions energy: -101.132
where: short stacking energy: -47.926
Base-Backbone interact. energy: -0.477
local terms energy: -77.372931
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -209.891604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.891604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.891604 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -56.641
Base-Backbone interact. energy: 1.558
local terms energy: -84.800021
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -164.421076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.421076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.421076 (E_RNA)
where:
Base-Base interactions energy: -104.634
where: short stacking energy: -52.776
Base-Backbone interact. energy: -0.085
local terms energy: -59.701919
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -166.062196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.062196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.062196 (E_RNA)
where:
Base-Base interactions energy: -97.786
where: short stacking energy: -47.869
Base-Backbone interact. energy: -0.503
local terms energy: -67.773867
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.592
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: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -88.663937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.663937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.663937 (E_RNA)
where:
Base-Base interactions energy: -28.204
where: short stacking energy: -23.291
Base-Backbone interact. energy: -0.170
local terms energy: -60.290002
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.286
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: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -85.833049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.833049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.833049 (E_RNA)
where:
Base-Base interactions energy: -29.489
where: short stacking energy: -29.489
Base-Backbone interact. energy: 1.609
local terms energy: -57.953142
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -3.298
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: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -263.823281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.823281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.823281 (E_RNA)
where:
Base-Base interactions energy: -180.119
where: short stacking energy: -62.262
Base-Backbone interact. energy: -0.419
local terms energy: -83.285336
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -16.856
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: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -219.678788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.678788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.678788 (E_RNA)
where:
Base-Base interactions energy: -132.550
where: short stacking energy: -75.797
Base-Backbone interact. energy: -0.040
local terms energy: -87.089320
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -220.224473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.224473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.224473 (E_RNA)
where:
Base-Base interactions energy: -137.812
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.055
local terms energy: -82.357096
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -20.606
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: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -183.899979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.899979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.899979 (E_RNA)
where:
Base-Base interactions energy: -107.651
where: short stacking energy: -48.753
Base-Backbone interact. energy: -0.531
local terms energy: -75.717972
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -12.042
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: 103
Temperature: 1.100000
Total energy: -210.026499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.026499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.026499 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -60.789
Base-Backbone interact. energy: -0.143
local terms energy: -75.516461
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -190.108051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.108051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.108051 (E_RNA)
where:
Base-Base interactions energy: -113.050
where: short stacking energy: -62.334
Base-Backbone interact. energy: -0.063
local terms energy: -76.994545
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -16.489
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: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -202.357386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.357386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.357386 (E_RNA)
where:
Base-Base interactions energy: -123.017
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.293
local terms energy: -79.047321
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -16.586
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: 103
Temperature: 1.250000
Total energy: -159.004498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.004498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.004498 (E_RNA)
where:
Base-Base interactions energy: -89.140
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.144
local terms energy: -69.719803
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -86.515592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.515592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.515592 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -19.919
Base-Backbone interact. energy: -0.980
local terms energy: -54.415005
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -4.898
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: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -95.261540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.261540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.261540 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -22.264
Base-Backbone interact. energy: -1.026
local terms energy: -51.860124
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -261.613068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.613068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.613068 (E_RNA)
where:
Base-Base interactions energy: -171.945
where: short stacking energy: -69.202
Base-Backbone interact. energy: -0.504
local terms energy: -89.164202
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -19.469
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: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -219.818290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.818290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.818290 (E_RNA)
where:
Base-Base interactions energy: -132.663
where: short stacking energy: -75.284
Base-Backbone interact. energy: -0.604
local terms energy: -86.550547
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -193.352685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.352685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.352685 (E_RNA)
where:
Base-Base interactions energy: -112.932
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.900
local terms energy: -79.520063
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -206.630263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.630263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.630263 (E_RNA)
where:
Base-Base interactions energy: -129.629
where: short stacking energy: -56.526
Base-Backbone interact. energy: -2.095
local terms energy: -74.907076
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -203.232739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.232739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.232739 (E_RNA)
where:
Base-Base interactions energy: -133.493
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.385
local terms energy: -69.354534
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -14.555
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: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -197.567960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.567960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.567960 (E_RNA)
where:
Base-Base interactions energy: -122.655
where: short stacking energy: -59.614
Base-Backbone interact. energy: 1.679
local terms energy: -76.592300
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -176.599466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.599466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.599466 (E_RNA)
where:
Base-Base interactions energy: -108.642
where: short stacking energy: -42.510
Base-Backbone interact. energy: -1.032
local terms energy: -66.925344
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -10.054
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: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -174.965202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.965202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.965202 (E_RNA)
where:
Base-Base interactions energy: -105.285
where: short stacking energy: -48.194
Base-Backbone interact. energy: -0.531
local terms energy: -69.149633
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -12.845
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -96.818067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.818067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.818067 (E_RNA)
where:
Base-Base interactions energy: -53.199
where: short stacking energy: -21.337
Base-Backbone interact. energy: -0.591
local terms energy: -43.028157
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -86.267321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.267321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.267321 (E_RNA)
where:
Base-Base interactions energy: -18.829
where: short stacking energy: -18.201
Base-Backbone interact. energy: -0.328
local terms energy: -67.110561
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -254.508597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.508597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.508597 (E_RNA)
where:
Base-Base interactions energy: -166.425
where: short stacking energy: -67.210
Base-Backbone interact. energy: -1.258
local terms energy: -86.825267
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -223.923551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.923551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.923551 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.160
local terms energy: -80.931611
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -19.476
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: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -206.945735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.945735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.945735 (E_RNA)
where:
Base-Base interactions energy: -129.110
where: short stacking energy: -60.747
Base-Backbone interact. energy: -1.119
local terms energy: -76.716397
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -190.690748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.690748 (E_RNA)
where:
Base-Base interactions energy: -121.306
where: short stacking energy: -49.447
Base-Backbone interact. energy: -0.160
local terms energy: -69.225423
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -207.561758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.561758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.561758 (E_RNA)
where:
Base-Base interactions energy: -129.245
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.003
local terms energy: -78.313591
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -16.331
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: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -193.605555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.605555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.605555 (E_RNA)
where:
Base-Base interactions energy: -117.238
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.053
local terms energy: -76.314706
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -18.391
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: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -174.859295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.859295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.859295 (E_RNA)
where:
Base-Base interactions energy: -99.296
where: short stacking energy: -48.171
Base-Backbone interact. energy: -0.018
local terms energy: -75.544455
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -170.571479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.571479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.571479 (E_RNA)
where:
Base-Base interactions energy: -105.048
where: short stacking energy: -57.880
Base-Backbone interact. energy: 0.417
local terms energy: -65.940447
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -10.598
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: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -111.673486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.673486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.673486 (E_RNA)
where:
Base-Base interactions energy: -59.446
where: short stacking energy: -33.692
Base-Backbone interact. energy: -1.506
local terms energy: -50.721741
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.433
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: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -79.218715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218715 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -32.280
Base-Backbone interact. energy: -0.415
local terms energy: -46.760770
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: 3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -273.162064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.162064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.162064 (E_RNA)
where:
Base-Base interactions energy: -183.691
where: short stacking energy: -69.846
Base-Backbone interact. energy: -2.055
local terms energy: -87.416163
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -225.289519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.289519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.289519 (E_RNA)
where:
Base-Base interactions energy: -145.832
where: short stacking energy: -65.699
Base-Backbone interact. energy: -0.009
local terms energy: -79.448813
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -200.623356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.623356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.623356 (E_RNA)
where:
Base-Base interactions energy: -127.282
where: short stacking energy: -53.908
Base-Backbone interact. energy: -0.250
local terms energy: -73.091314
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -192.279136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.279136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.279136 (E_RNA)
where:
Base-Base interactions energy: -123.071
where: short stacking energy: -53.510
Base-Backbone interact. energy: -0.847
local terms energy: -68.361464
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.532
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: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -222.446344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.446344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.446344 (E_RNA)
where:
Base-Base interactions energy: -158.547
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.828
local terms energy: -63.071524
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -189.080997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.080997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.080997 (E_RNA)
where:
Base-Base interactions energy: -125.746
where: short stacking energy: -56.208
Base-Backbone interact. energy: -0.234
local terms energy: -63.100260
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -8.896
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -173.679288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.679288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.679288 (E_RNA)
where:
Base-Base interactions energy: -105.490
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.127
local terms energy: -68.061914
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -172.527863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.527863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.527863 (E_RNA)
where:
Base-Base interactions energy: -101.079
where: short stacking energy: -40.302
Base-Backbone interact. energy: -1.986
local terms energy: -69.462649
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -11.888
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: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -92.553469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.553469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.553469 (E_RNA)
where:
Base-Base interactions energy: -49.232
where: short stacking energy: -28.939
Base-Backbone interact. energy: -0.504
local terms energy: -42.816858
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -79.597836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.597836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.597836 (E_RNA)
where:
Base-Base interactions energy: -18.997
where: short stacking energy: -19.628
Base-Backbone interact. energy: -0.176
local terms energy: -60.424437
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: 2.153
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: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -255.851141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.851141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.851141 (E_RNA)
where:
Base-Base interactions energy: -171.152
where: short stacking energy: -66.640
Base-Backbone interact. energy: -0.077
local terms energy: -84.622042
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -235.060149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.060149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.060149 (E_RNA)
where:
Base-Base interactions energy: -157.621
where: short stacking energy: -62.516
Base-Backbone interact. energy: -0.073
local terms energy: -77.365927
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -226.080258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.080258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.080258 (E_RNA)
where:
Base-Base interactions energy: -143.940
where: short stacking energy: -65.555
Base-Backbone interact. energy: 1.205
local terms energy: -83.344719
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -215.542519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.542519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.542519 (E_RNA)
where:
Base-Base interactions energy: -132.989
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.215
local terms energy: -82.339358
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -19.134
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: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -189.842518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.842518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.842518 (E_RNA)
where:
Base-Base interactions energy: -115.760
where: short stacking energy: -50.996
Base-Backbone interact. energy: -0.107
local terms energy: -73.975954
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -197.555247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.555247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.555247 (E_RNA)
where:
Base-Base interactions energy: -117.962
where: short stacking energy: -57.552
Base-Backbone interact. energy: -0.564
local terms energy: -79.029563
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -167.649639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.649639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.649639 (E_RNA)
where:
Base-Base interactions energy: -109.142
where: short stacking energy: -43.149
Base-Backbone interact. energy: -0.786
local terms energy: -57.720993
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -160.342299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.342299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.342299 (E_RNA)
where:
Base-Base interactions energy: -90.776
where: short stacking energy: -36.829
Base-Backbone interact. energy: -0.501
local terms energy: -69.065429
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -86.405799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.405799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.405799 (E_RNA)
where:
Base-Base interactions energy: -37.414
where: short stacking energy: -19.315
Base-Backbone interact. energy: 1.400
local terms energy: -50.391735
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -1.181
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: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -84.890426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.890426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.890426 (E_RNA)
where:
Base-Base interactions energy: -21.889
where: short stacking energy: -21.889
Base-Backbone interact. energy: -0.146
local terms energy: -62.855057
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: 0.245
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: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -229.576313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.576313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.576313 (E_RNA)
where:
Base-Base interactions energy: -149.278
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.230
local terms energy: -80.068919
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -253.567580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.567580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.567580 (E_RNA)
where:
Base-Base interactions energy: -164.512
where: short stacking energy: -62.333
Base-Backbone interact. energy: -1.620
local terms energy: -87.435821
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -20.703
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: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -212.088066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.088066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.088066 (E_RNA)
where:
Base-Base interactions energy: -144.991
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.542
local terms energy: -66.555394
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -205.285878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.285878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.285878 (E_RNA)
where:
Base-Base interactions energy: -129.124
where: short stacking energy: -57.726
Base-Backbone interact. energy: 0.068
local terms energy: -76.230134
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -216.462697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.462697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.462697 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.011
local terms energy: -75.065676
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -213.159840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.159840 (E_RNA)
where:
Base-Base interactions energy: -146.626
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.098
local terms energy: -66.436693
where:
bonds (distance) C4'-P energy: -6.799
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -169.539525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.539525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.539525 (E_RNA)
where:
Base-Base interactions energy: -102.256
where: short stacking energy: -51.185
Base-Backbone interact. energy: -0.478
local terms energy: -66.805463
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -11.928
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: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -151.005391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.005391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.005391 (E_RNA)
where:
Base-Base interactions energy: -88.610
where: short stacking energy: -44.962
Base-Backbone interact. energy: -0.062
local terms energy: -62.333287
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -8.525
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: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -98.662381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.662381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.662381 (E_RNA)
where:
Base-Base interactions energy: -37.330
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.624
local terms energy: -60.708372
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -85.073205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073205 (E_RNA)
where:
Base-Base interactions energy: -28.307
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.126
local terms energy: -56.640400
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -232.241992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.241992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.241992 (E_RNA)
where:
Base-Base interactions energy: -157.070
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.001
local terms energy: -75.171855
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -256.374906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.374906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.374906 (E_RNA)
where:
Base-Base interactions energy: -172.870
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.597
local terms energy: -82.908214
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -206.676621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.676621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.676621 (E_RNA)
where:
Base-Base interactions energy: -133.813
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.031
local terms energy: -72.831998
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -198.811769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.811769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.811769 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -57.388
Base-Backbone interact. energy: -0.130
local terms energy: -73.517836
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -17.321
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: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -205.737414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.737414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.737414 (E_RNA)
where:
Base-Base interactions energy: -127.208
where: short stacking energy: -54.467
Base-Backbone interact. energy: -0.917
local terms energy: -77.612226
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -209.512979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.512979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.512979 (E_RNA)
where:
Base-Base interactions energy: -138.178
where: short stacking energy: -69.830
Base-Backbone interact. energy: -1.252
local terms energy: -70.083370
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -156.781407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.781407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.781407 (E_RNA)
where:
Base-Base interactions energy: -92.122
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.612
local terms energy: -64.047835
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -157.315216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.315216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.315216 (E_RNA)
where:
Base-Base interactions energy: -88.208
where: short stacking energy: -44.347
Base-Backbone interact. energy: -0.188
local terms energy: -68.919832
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -90.075448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.075448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.075448 (E_RNA)
where:
Base-Base interactions energy: -31.925
where: short stacking energy: -23.297
Base-Backbone interact. energy: -0.293
local terms energy: -57.857477
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -84.655929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.655929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.655929 (E_RNA)
where:
Base-Base interactions energy: -28.873
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.195
local terms energy: -55.587859
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: 0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -258.248488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.248488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.248488 (E_RNA)
where:
Base-Base interactions energy: -176.893
where: short stacking energy: -76.372
Base-Backbone interact. energy: -0.966
local terms energy: -80.390098
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -218.920247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.920247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.920247 (E_RNA)
where:
Base-Base interactions energy: -135.638
where: short stacking energy: -61.819
Base-Backbone interact. energy: -0.213
local terms energy: -83.068733
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -221.761088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.761088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.761088 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -67.692
Base-Backbone interact. energy: -1.546
local terms energy: -73.761530
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -184.032666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.032666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.032666 (E_RNA)
where:
Base-Base interactions energy: -114.072
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.081
local terms energy: -69.879225
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -12.687
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: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -201.569245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.569245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.569245 (E_RNA)
where:
Base-Base interactions energy: -137.742
where: short stacking energy: -47.558
Base-Backbone interact. energy: -0.911
local terms energy: -62.916499
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -6.659
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -165.492317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.492317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.492317 (E_RNA)
where:
Base-Base interactions energy: -100.480
where: short stacking energy: -42.948
Base-Backbone interact. energy: -0.059
local terms energy: -64.953304
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -176.678386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.678386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.678386 (E_RNA)
where:
Base-Base interactions energy: -102.187
where: short stacking energy: -49.049
Base-Backbone interact. energy: -0.432
local terms energy: -74.058432
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -144.404648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.404648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.404648 (E_RNA)
where:
Base-Base interactions energy: -85.137
where: short stacking energy: -37.483
Base-Backbone interact. energy: -0.028
local terms energy: -59.238963
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -7.076
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: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -94.114352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.114352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.114352 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.254
local terms energy: -54.179706
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: 2.692
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: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -88.470265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.470265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.470265 (E_RNA)
where:
Base-Base interactions energy: -52.244
where: short stacking energy: -31.114
Base-Backbone interact. energy: -2.047
local terms energy: -34.178608
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -1.806
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -254.490434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.490434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.490434 (E_RNA)
where:
Base-Base interactions energy: -168.451
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.541
local terms energy: -85.498677
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -230.256446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.256446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.256446 (E_RNA)
where:
Base-Base interactions energy: -148.021
where: short stacking energy: -70.162
Base-Backbone interact. energy: -0.004
local terms energy: -82.231198
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -219.182292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.182292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.182292 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.562
local terms energy: -77.999776
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -219.189065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.189065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.189065 (E_RNA)
where:
Base-Base interactions energy: -140.034
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.007
local terms energy: -79.147758
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -17.448
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: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -179.836364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.836364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.836364 (E_RNA)
where:
Base-Base interactions energy: -110.205
where: short stacking energy: -54.592
Base-Backbone interact. energy: -0.575
local terms energy: -69.056025
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.008
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: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -173.464781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.464781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.464781 (E_RNA)
where:
Base-Base interactions energy: -112.268
where: short stacking energy: -37.476
Base-Backbone interact. energy: -0.956
local terms energy: -60.240634
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -152.417793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.417793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.417793 (E_RNA)
where:
Base-Base interactions energy: -88.333
where: short stacking energy: -40.712
Base-Backbone interact. energy: 0.876
local terms energy: -64.960259
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -160.869419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.869419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.869419 (E_RNA)
where:
Base-Base interactions energy: -96.893
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.777
local terms energy: -63.199241
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -5.995
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -82.850596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.850596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.850596 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -26.747
Base-Backbone interact. energy: -0.306
local terms energy: -54.812158
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -6.533
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: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -73.790268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.790268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.790268 (E_RNA)
where:
Base-Base interactions energy: -23.075
where: short stacking energy: -22.067
Base-Backbone interact. energy: -0.082
local terms energy: -50.632922
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -11.596
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: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -242.416570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.416570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.416570 (E_RNA)
where:
Base-Base interactions energy: -160.870
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.561
local terms energy: -80.985241
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -229.210067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.210067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.210067 (E_RNA)
where:
Base-Base interactions energy: -149.107
where: short stacking energy: -72.510
Base-Backbone interact. energy: -0.156
local terms energy: -79.947113
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -224.290746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.290746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.290746 (E_RNA)
where:
Base-Base interactions energy: -143.644
where: short stacking energy: -64.117
Base-Backbone interact. energy: -0.053
local terms energy: -80.594026
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -211.900513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.900513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.900513 (E_RNA)
where:
Base-Base interactions energy: -145.614
where: short stacking energy: -61.947
Base-Backbone interact. energy: -0.070
local terms energy: -66.216557
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -199.012730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.012730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.012730 (E_RNA)
where:
Base-Base interactions energy: -121.244
where: short stacking energy: -69.012
Base-Backbone interact. energy: 0.091
local terms energy: -77.859270
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -162.793001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.793001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.793001 (E_RNA)
where:
Base-Base interactions energy: -94.449
where: short stacking energy: -43.858
Base-Backbone interact. energy: -0.248
local terms energy: -68.095773
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -159.322850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.322850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.322850 (E_RNA)
where:
Base-Base interactions energy: -86.695
where: short stacking energy: -43.860
Base-Backbone interact. energy: -0.168
local terms energy: -72.460073
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -10.145
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: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -156.755666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.755666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.755666 (E_RNA)
where:
Base-Base interactions energy: -97.333
where: short stacking energy: -45.361
Base-Backbone interact. energy: -0.083
local terms energy: -59.339904
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -7.749
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: 112
Temperature: 1.300000
Total energy: -93.079428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079428 (E_RNA)
where:
Base-Base interactions energy: -33.526
where: short stacking energy: -20.970
Base-Backbone interact. energy: -0.044
local terms energy: -59.509376
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.559
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -85.436283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.436283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.436283 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -26.674
Base-Backbone interact. energy: -0.197
local terms energy: -49.739979
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: 2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -258.346886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.346886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.346886 (E_RNA)
where:
Base-Base interactions energy: -178.732
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.401
local terms energy: -79.213629
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -9.425
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: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -226.827387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.827387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.827387 (E_RNA)
where:
Base-Base interactions energy: -151.533
where: short stacking energy: -69.250
Base-Backbone interact. energy: -0.003
local terms energy: -75.291422
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -237.049269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.049269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.049269 (E_RNA)
where:
Base-Base interactions energy: -149.673
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.089
local terms energy: -87.287751
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -217.103184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.103184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.103184 (E_RNA)
where:
Base-Base interactions energy: -141.022
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.162
local terms energy: -75.919604
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -198.950851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.950851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.950851 (E_RNA)
where:
Base-Base interactions energy: -115.447
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.061
local terms energy: -83.442050
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -176.694285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.694285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.694285 (E_RNA)
where:
Base-Base interactions energy: -117.741
where: short stacking energy: -54.429
Base-Backbone interact. energy: -0.259
local terms energy: -58.694370
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -9.961
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: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -164.850494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.850494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.850494 (E_RNA)
where:
Base-Base interactions energy: -97.774
where: short stacking energy: -42.623
Base-Backbone interact. energy: -0.179
local terms energy: -66.897829
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.237
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: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -162.483634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.483634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.483634 (E_RNA)
where:
Base-Base interactions energy: -105.216
where: short stacking energy: -47.303
Base-Backbone interact. energy: -0.156
local terms energy: -57.112358
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -7.235
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: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -90.014096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.014096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.014096 (E_RNA)
where:
Base-Base interactions energy: -42.578
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.407
local terms energy: -47.029118
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -8.451
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -79.235905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235905 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -24.215
Base-Backbone interact. energy: -0.165
local terms energy: -54.269733
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -257.102829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.102829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.102829 (E_RNA)
where:
Base-Base interactions energy: -174.692
where: short stacking energy: -70.925
Base-Backbone interact. energy: -0.369
local terms energy: -82.042143
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -230.495461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.495461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.495461 (E_RNA)
where:
Base-Base interactions energy: -159.591
where: short stacking energy: -74.647
Base-Backbone interact. energy: 1.068
local terms energy: -71.972301
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -210.181807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.181807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.181807 (E_RNA)
where:
Base-Base interactions energy: -135.101
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.093
local terms energy: -74.988256
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -204.047669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.047669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.047669 (E_RNA)
where:
Base-Base interactions energy: -127.277
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.123
local terms energy: -76.647294
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -19.071
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: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -188.301404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.301404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.301404 (E_RNA)
where:
Base-Base interactions energy: -111.745
where: short stacking energy: -56.912
Base-Backbone interact. energy: -0.493
local terms energy: -76.063596
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -169.494969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.494969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.494969 (E_RNA)
where:
Base-Base interactions energy: -112.249
where: short stacking energy: -43.850
Base-Backbone interact. energy: 0.288
local terms energy: -57.534255
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -161.684892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.684892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.684892 (E_RNA)
where:
Base-Base interactions energy: -98.608
where: short stacking energy: -43.306
Base-Backbone interact. energy: -0.301
local terms energy: -62.775453
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -168.661347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.661347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.661347 (E_RNA)
where:
Base-Base interactions energy: -111.118
where: short stacking energy: -41.824
Base-Backbone interact. energy: -0.162
local terms energy: -57.381361
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -7.993
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: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -90.953075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.953075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.953075 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.062
local terms energy: -57.318961
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.877
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: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -86.837473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.837473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.837473 (E_RNA)
where:
Base-Base interactions energy: -35.627
where: short stacking energy: -28.854
Base-Backbone interact. energy: 1.290
local terms energy: -52.499940
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -1.512
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: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -259.399496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.399496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.399496 (E_RNA)
where:
Base-Base interactions energy: -172.603
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.551
local terms energy: -86.245590
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -219.925859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.925859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.925859 (E_RNA)
where:
Base-Base interactions energy: -139.901
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.418
local terms energy: -79.606489
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -224.878211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.878211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.878211 (E_RNA)
where:
Base-Base interactions energy: -147.692
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.013
local terms energy: -77.173848
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -19.491
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: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -215.855583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.855583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.855583 (E_RNA)
where:
Base-Base interactions energy: -135.838
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.372
local terms energy: -79.646064
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -165.370284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.370284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.370284 (E_RNA)
where:
Base-Base interactions energy: -96.883
where: short stacking energy: -43.774
Base-Backbone interact. energy: 0.763
local terms energy: -69.250138
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -182.688434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.688434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.688434 (E_RNA)
where:
Base-Base interactions energy: -114.180
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.035
local terms energy: -68.473189
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -15.509
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: 115
Temperature: 1.200000
Total energy: -163.730271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.730271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.730271 (E_RNA)
where:
Base-Base interactions energy: -96.696
where: short stacking energy: -41.168
Base-Backbone interact. energy: -1.233
local terms energy: -65.801036
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -163.939409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.939409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.939409 (E_RNA)
where:
Base-Base interactions energy: -94.539
where: short stacking energy: -36.945
Base-Backbone interact. energy: -0.644
local terms energy: -68.756039
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -7.873
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: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -91.081887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.081887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.081887 (E_RNA)
where:
Base-Base interactions energy: -27.961
where: short stacking energy: -23.459
Base-Backbone interact. energy: -0.253
local terms energy: -62.868306
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -75.701106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.701106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.701106 (E_RNA)
where:
Base-Base interactions energy: -25.524
where: short stacking energy: -25.524
Base-Backbone interact. energy: -0.755
local terms energy: -49.422433
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -5.772
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -261.577644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.577644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.577644 (E_RNA)
where:
Base-Base interactions energy: -180.375
where: short stacking energy: -63.573
Base-Backbone interact. energy: 1.190
local terms energy: -82.391986
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -226.897034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.897034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.897034 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -73.831
Base-Backbone interact. energy: -0.047
local terms energy: -79.649165
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -216.737577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.737577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.737577 (E_RNA)
where:
Base-Base interactions energy: -137.815
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.098
local terms energy: -78.824820
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -202.730484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.730484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.730484 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -66.694
Base-Backbone interact. energy: -0.998
local terms energy: -69.516197
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -10.692
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: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -196.977489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.977489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.977489 (E_RNA)
where:
Base-Base interactions energy: -117.342
where: short stacking energy: -53.906
Base-Backbone interact. energy: -0.021
local terms energy: -79.613624
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -183.993387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.993387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.993387 (E_RNA)
where:
Base-Base interactions energy: -119.994
where: short stacking energy: -47.563
Base-Backbone interact. energy: -0.280
local terms energy: -63.718894
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -12.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -176.047788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.047788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.047788 (E_RNA)
where:
Base-Base interactions energy: -107.160
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.954
local terms energy: -67.933469
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -153.342922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.342922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.342922 (E_RNA)
where:
Base-Base interactions energy: -89.099
where: short stacking energy: -35.991
Base-Backbone interact. energy: -0.878
local terms energy: -63.366185
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -12.794
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: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -99.791549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.791549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.791549 (E_RNA)
where:
Base-Base interactions energy: -48.461
where: short stacking energy: -35.567
Base-Backbone interact. energy: 0.905
local terms energy: -52.235693
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -91.390540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.390540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.390540 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -29.571
Base-Backbone interact. energy: 0.311
local terms energy: -60.509626
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -256.898100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.898100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.898100 (E_RNA)
where:
Base-Base interactions energy: -179.977
where: short stacking energy: -72.685
Base-Backbone interact. energy: -0.278
local terms energy: -76.643127
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -13.843
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: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -229.948169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.948169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.948169 (E_RNA)
where:
Base-Base interactions energy: -141.862
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.758
local terms energy: -87.328577
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -22.500
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: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -216.452607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.452607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.452607 (E_RNA)
where:
Base-Base interactions energy: -148.045
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.010
local terms energy: -68.397220
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -204.436161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.436161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.436161 (E_RNA)
where:
Base-Base interactions energy: -125.282
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.300
local terms energy: -78.855034
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -15.176
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: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -161.913693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.913693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.913693 (E_RNA)
where:
Base-Base interactions energy: -94.685
where: short stacking energy: -42.573
Base-Backbone interact. energy: -1.817
local terms energy: -65.412518
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -203.576480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.576480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.576480 (E_RNA)
where:
Base-Base interactions energy: -128.683
where: short stacking energy: -66.823
Base-Backbone interact. energy: -0.040
local terms energy: -74.853397
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -203.955335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.955335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.955335 (E_RNA)
where:
Base-Base interactions energy: -140.139
where: short stacking energy: -56.992
Base-Backbone interact. energy: 0.170
local terms energy: -63.985885
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -142.087469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.087469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.087469 (E_RNA)
where:
Base-Base interactions energy: -86.073
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.194
local terms energy: -55.820276
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -84.961996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961996 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -29.214
Base-Backbone interact. energy: -1.377
local terms energy: -54.470908
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -5.874
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: 117
Temperature: 1.350000
Total energy: -91.012151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.012151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.012151 (E_RNA)
where:
Base-Base interactions energy: -35.332
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.278
local terms energy: -55.401998
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.836
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -253.376950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.376950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.376950 (E_RNA)
where:
Base-Base interactions energy: -171.194
where: short stacking energy: -68.635
Base-Backbone interact. energy: -0.655
local terms energy: -81.528068
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -221.886020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.886020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.886020 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.081
local terms energy: -87.437573
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -207.353329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.353329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.353329 (E_RNA)
where:
Base-Base interactions energy: -131.073
where: short stacking energy: -58.306
Base-Backbone interact. energy: -0.126
local terms energy: -76.154837
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -208.477356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.477356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.477356 (E_RNA)
where:
Base-Base interactions energy: -134.310
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.098
local terms energy: -74.069568
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -11.321
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: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -197.281374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.281374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.281374 (E_RNA)
where:
Base-Base interactions energy: -124.816
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.668
local terms energy: -71.797239
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -155.528117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.528117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.528117 (E_RNA)
where:
Base-Base interactions energy: -92.871
where: short stacking energy: -47.579
Base-Backbone interact. energy: -1.405
local terms energy: -61.252346
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -10.024
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: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -158.458573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.458573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.458573 (E_RNA)
where:
Base-Base interactions energy: -95.531
where: short stacking energy: -49.298
Base-Backbone interact. energy: 1.795
local terms energy: -64.722548
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -144.077016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.077016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.077016 (E_RNA)
where:
Base-Base interactions energy: -89.720
where: short stacking energy: -39.513
Base-Backbone interact. energy: -0.569
local terms energy: -53.788783
where:
bonds (distance) C4'-P energy: -1.998
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -87.102894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.102894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.102894 (E_RNA)
where:
Base-Base interactions energy: -28.861
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.037
local terms energy: -58.204999
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -85.566023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566023 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -26.533
Base-Backbone interact. energy: -0.064
local terms energy: -58.969455
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -7.352
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: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -257.114805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.114805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.114805 (E_RNA)
where:
Base-Base interactions energy: -178.249
where: short stacking energy: -75.454
Base-Backbone interact. energy: 1.738
local terms energy: -80.603174
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -225.112267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.112267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.112267 (E_RNA)
where:
Base-Base interactions energy: -147.202
where: short stacking energy: -77.064
Base-Backbone interact. energy: -0.083
local terms energy: -77.827697
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -9.624
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -207.343111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.343111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.343111 (E_RNA)
where:
Base-Base interactions energy: -131.784
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.531
local terms energy: -75.027703
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -16.202
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: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -208.873320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.873320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.873320 (E_RNA)
where:
Base-Base interactions energy: -142.499
where: short stacking energy: -55.556
Base-Backbone interact. energy: 0.106
local terms energy: -66.479891
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -169.691511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.691511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.691511 (E_RNA)
where:
Base-Base interactions energy: -98.872
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.821
local terms energy: -69.998235
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -181.952323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.952323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.952323 (E_RNA)
where:
Base-Base interactions energy: -121.885
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.221
local terms energy: -59.846792
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -151.660699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.660699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.660699 (E_RNA)
where:
Base-Base interactions energy: -86.917
where: short stacking energy: -35.384
Base-Backbone interact. energy: -0.189
local terms energy: -64.554283
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -3.973
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: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -155.075031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.075031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.075031 (E_RNA)
where:
Base-Base interactions energy: -95.035
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.246
local terms energy: -59.793769
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -91.335767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.335767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.335767 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -40.557
Base-Backbone interact. energy: 0.587
local terms energy: -48.252807
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -79.672787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.672787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.672787 (E_RNA)
where:
Base-Base interactions energy: -29.399
where: short stacking energy: -18.926
Base-Backbone interact. energy: -0.373
local terms energy: -49.900217
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -253.743803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.743803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.743803 (E_RNA)
where:
Base-Base interactions energy: -171.036
where: short stacking energy: -69.140
Base-Backbone interact. energy: -1.066
local terms energy: -81.642000
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -21.093
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: 120
Temperature: 0.950000
Total energy: -213.730167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.730167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.730167 (E_RNA)
where:
Base-Base interactions energy: -146.638
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.093
local terms energy: -66.998916
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -219.166201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.166201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.166201 (E_RNA)
where:
Base-Base interactions energy: -147.032
where: short stacking energy: -61.746
Base-Backbone interact. energy: -0.182
local terms energy: -71.952710
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -15.236
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: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -196.834818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.834818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.834818 (E_RNA)
where:
Base-Base interactions energy: -118.164
where: short stacking energy: -66.158
Base-Backbone interact. energy: -0.013
local terms energy: -78.657922
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -198.378489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.378489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.378489 (E_RNA)
where:
Base-Base interactions energy: -133.488
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.568
local terms energy: -64.323024
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -175.692377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.692377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.692377 (E_RNA)
where:
Base-Base interactions energy: -110.210
where: short stacking energy: -47.710
Base-Backbone interact. energy: -1.099
local terms energy: -64.382983
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -10.091
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: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -186.198937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.198937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.198937 (E_RNA)
where:
Base-Base interactions energy: -109.008
where: short stacking energy: -56.980
Base-Backbone interact. energy: -0.099
local terms energy: -77.092472
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -149.383372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.383372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.383372 (E_RNA)
where:
Base-Base interactions energy: -86.670
where: short stacking energy: -35.898
Base-Backbone interact. energy: -0.741
local terms energy: -61.971993
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.586
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: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -124.369341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.369341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.369341 (E_RNA)
where:
Base-Base interactions energy: -67.221
where: short stacking energy: -35.742
Base-Backbone interact. energy: -0.242
local terms energy: -56.906179
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -113.430199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.430199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.430199 (E_RNA)
where:
Base-Base interactions energy: -58.488
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.251
local terms energy: -54.691556
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -253.148321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.148321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.148321 (E_RNA)
where:
Base-Base interactions energy: -163.601
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.569
local terms energy: -88.978919
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -219.312558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.312558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.312558 (E_RNA)
where:
Base-Base interactions energy: -137.133
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.780
local terms energy: -81.399573
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -14.206
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: 121
Temperature: 1.000000
Total energy: -212.607709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.607709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.607709 (E_RNA)
where:
Base-Base interactions energy: -144.080
where: short stacking energy: -56.985
Base-Backbone interact. energy: 0.964
local terms energy: -69.492369
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -188.217224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.217224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.217224 (E_RNA)
where:
Base-Base interactions energy: -111.492
where: short stacking energy: -50.742
Base-Backbone interact. energy: -0.275
local terms energy: -76.450758
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -184.881738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.881738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.881738 (E_RNA)
where:
Base-Base interactions energy: -119.022
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.385
local terms energy: -65.473882
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -10.923
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: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -180.731106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.731106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.731106 (E_RNA)
where:
Base-Base interactions energy: -106.287
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.175
local terms energy: -74.269099
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -8.080
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: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -161.515339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.515339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.515339 (E_RNA)
where:
Base-Base interactions energy: -95.451
where: short stacking energy: -44.007
Base-Backbone interact. energy: -0.563
local terms energy: -65.502206
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -10.973
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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -163.195979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.195979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.195979 (E_RNA)
where:
Base-Base interactions energy: -95.249
where: short stacking energy: -51.216
Base-Backbone interact. energy: 0.024
local terms energy: -67.970544
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -12.111
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -95.601365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.601365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.601365 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -23.602
Base-Backbone interact. energy: -1.059
local terms energy: -58.716960
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -113.781687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.781687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.781687 (E_RNA)
where:
Base-Base interactions energy: -66.498
where: short stacking energy: -17.587
Base-Backbone interact. energy: -1.073
local terms energy: -46.210202
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -258.419249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.419249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.419249 (E_RNA)
where:
Base-Base interactions energy: -172.093
where: short stacking energy: -78.832
Base-Backbone interact. energy: -0.640
local terms energy: -85.686185
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -19.996
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: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -220.594119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.594119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.594119 (E_RNA)
where:
Base-Base interactions energy: -139.779
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.033
local terms energy: -80.782157
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -215.315686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.315686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.315686 (E_RNA)
where:
Base-Base interactions energy: -142.190
where: short stacking energy: -58.245
Base-Backbone interact. energy: -1.869
local terms energy: -71.256397
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -205.671283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.671283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.671283 (E_RNA)
where:
Base-Base interactions energy: -128.875
where: short stacking energy: -67.088
Base-Backbone interact. energy: -0.019
local terms energy: -76.776739
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -185.541285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.541285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.541285 (E_RNA)
where:
Base-Base interactions energy: -119.009
where: short stacking energy: -51.323
Base-Backbone interact. energy: -0.478
local terms energy: -66.054936
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -12.788
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: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -167.948801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.948801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.948801 (E_RNA)
where:
Base-Base interactions energy: -105.661
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.078
local terms energy: -62.209998
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -159.336951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.336951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.336951 (E_RNA)
where:
Base-Base interactions energy: -103.642
where: short stacking energy: -41.055
Base-Backbone interact. energy: -0.107
local terms energy: -55.587696
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -5.390
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: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -163.090008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.090008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.090008 (E_RNA)
where:
Base-Base interactions energy: -102.012
where: short stacking energy: -41.961
Base-Backbone interact. energy: -0.094
local terms energy: -60.983212
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -5.319
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: 122
Temperature: 1.300000
Total energy: -86.590212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.590212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.590212 (E_RNA)
where:
Base-Base interactions energy: -30.103
where: short stacking energy: -14.698
Base-Backbone interact. energy: -0.163
local terms energy: -56.323403
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -77.911206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.911206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.911206 (E_RNA)
where:
Base-Base interactions energy: -23.030
where: short stacking energy: -22.544
Base-Backbone interact. energy: 0.744
local terms energy: -55.625413
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -1.578
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: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -258.754418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.754418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.754418 (E_RNA)
where:
Base-Base interactions energy: -169.463
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.415
local terms energy: -88.876532
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -20.962
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: 123
Temperature: 0.950000
Total energy: -218.715187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.715187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.715187 (E_RNA)
where:
Base-Base interactions energy: -133.333
where: short stacking energy: -73.157
Base-Backbone interact. energy: -0.495
local terms energy: -84.886621
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -216.838667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.838667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.838667 (E_RNA)
where:
Base-Base interactions energy: -136.276
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.093
local terms energy: -80.469405
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -208.292877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.292877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.292877 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -59.542
Base-Backbone interact. energy: 0.729
local terms energy: -80.664012
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -8.474
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: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -194.747374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.747374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.747374 (E_RNA)
where:
Base-Base interactions energy: -117.343
where: short stacking energy: -60.284
Base-Backbone interact. energy: -0.167
local terms energy: -77.237361
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -182.471749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.471749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.471749 (E_RNA)
where:
Base-Base interactions energy: -106.295
where: short stacking energy: -60.593
Base-Backbone interact. energy: 0.017
local terms energy: -76.193214
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -172.215031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215031 (E_RNA)
where:
Base-Base interactions energy: -105.275
where: short stacking energy: -51.288
Base-Backbone interact. energy: -0.184
local terms energy: -66.755980
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -155.536607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.536607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.536607 (E_RNA)
where:
Base-Base interactions energy: -99.252
where: short stacking energy: -54.092
Base-Backbone interact. energy: -0.120
local terms energy: -56.164013
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -84.679089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.679089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.679089 (E_RNA)
where:
Base-Base interactions energy: -29.905
where: short stacking energy: -26.108
Base-Backbone interact. energy: 0.252
local terms energy: -55.025458
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: 4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -93.729721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729721 (E_RNA)
where:
Base-Base interactions energy: -48.998
where: short stacking energy: -20.765
Base-Backbone interact. energy: -0.242
local terms energy: -44.489687
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: 1.225
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: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -223.546032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.546032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.546032 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -67.067
Base-Backbone interact. energy: -0.002
local terms energy: -80.980176
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -246.574943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.574943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.574943 (E_RNA)
where:
Base-Base interactions energy: -171.757
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.368
local terms energy: -74.450296
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -206.390916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.390916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.390916 (E_RNA)
where:
Base-Base interactions energy: -125.987
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.001
local terms energy: -80.402919
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -191.591358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.591358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.591358 (E_RNA)
where:
Base-Base interactions energy: -122.182
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.799
local terms energy: -68.610916
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -173.874905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.874905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.874905 (E_RNA)
where:
Base-Base interactions energy: -111.973
where: short stacking energy: -57.584
Base-Backbone interact. energy: -0.004
local terms energy: -61.898318
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -174.931398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.931398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.931398 (E_RNA)
where:
Base-Base interactions energy: -114.853
where: short stacking energy: -58.504
Base-Backbone interact. energy: 0.094
local terms energy: -60.172350
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -8.733
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: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -163.414298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.414298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.414298 (E_RNA)
where:
Base-Base interactions energy: -102.094
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.350
local terms energy: -60.969961
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -16.823
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: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -151.957796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.957796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.957796 (E_RNA)
where:
Base-Base interactions energy: -91.927
where: short stacking energy: -42.747
Base-Backbone interact. energy: -1.174
local terms energy: -58.856395
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -82.094227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.094227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.094227 (E_RNA)
where:
Base-Base interactions energy: -22.684
where: short stacking energy: -21.476
Base-Backbone interact. energy: 2.090
local terms energy: -61.500014
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -6.292
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: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -79.586461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.586461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.586461 (E_RNA)
where:
Base-Base interactions energy: -37.748
where: short stacking energy: -20.500
Base-Backbone interact. energy: -0.436
local terms energy: -41.402203
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: 2.838
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: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -227.838524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.838524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.838524 (E_RNA)
where:
Base-Base interactions energy: -142.397
where: short stacking energy: -68.019
Base-Backbone interact. energy: -1.152
local terms energy: -84.289622
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -251.563458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.563458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.563458 (E_RNA)
where:
Base-Base interactions energy: -172.566
where: short stacking energy: -68.675
Base-Backbone interact. energy: -1.355
local terms energy: -77.642967
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -225.438938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.438938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.438938 (E_RNA)
where:
Base-Base interactions energy: -139.295
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.102
local terms energy: -86.041945
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -179.764153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.764153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.764153 (E_RNA)
where:
Base-Base interactions energy: -121.410
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.775
local terms energy: -57.579597
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -186.748054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.748054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.748054 (E_RNA)
where:
Base-Base interactions energy: -113.760
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.113
local terms energy: -72.874919
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -15.337
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: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -170.741326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.741326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.741326 (E_RNA)
where:
Base-Base interactions energy: -103.890
where: short stacking energy: -42.359
Base-Backbone interact. energy: -0.333
local terms energy: -66.518548
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -182.792187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.792187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.792187 (E_RNA)
where:
Base-Base interactions energy: -118.714
where: short stacking energy: -51.960
Base-Backbone interact. energy: 0.362
local terms energy: -64.440729
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -7.350
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: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -135.319241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.319241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.319241 (E_RNA)
where:
Base-Base interactions energy: -77.301
where: short stacking energy: -34.144
Base-Backbone interact. energy: 0.301
local terms energy: -58.318772
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -5.800
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: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -91.292418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.292418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.292418 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.198
local terms energy: -53.498118
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -84.498346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.498346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.498346 (E_RNA)
where:
Base-Base interactions energy: -20.373
where: short stacking energy: -18.732
Base-Backbone interact. energy: -0.299
local terms energy: -63.826502
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: 0.979
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: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -258.616559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.616559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.616559 (E_RNA)
where:
Base-Base interactions energy: -182.399
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.376
local terms energy: -75.841137
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -217.322583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.322583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.322583 (E_RNA)
where:
Base-Base interactions energy: -134.501
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.213
local terms energy: -82.608796
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -210.906616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.906616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.906616 (E_RNA)
where:
Base-Base interactions energy: -132.175
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.045
local terms energy: -78.685711
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -181.145553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.145553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.145553 (E_RNA)
where:
Base-Base interactions energy: -112.421
where: short stacking energy: -54.974
Base-Backbone interact. energy: 2.685
local terms energy: -71.410414
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -9.697
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: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -202.224197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.224197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.224197 (E_RNA)
where:
Base-Base interactions energy: -126.119
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.111
local terms energy: -75.994276
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -166.593256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.593256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.593256 (E_RNA)
where:
Base-Base interactions energy: -100.425
where: short stacking energy: -46.090
Base-Backbone interact. energy: -1.120
local terms energy: -65.047749
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -12.383
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: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -167.489284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.489284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.489284 (E_RNA)
where:
Base-Base interactions energy: -99.403
where: short stacking energy: -48.934
Base-Backbone interact. energy: -0.764
local terms energy: -67.322225
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -162.047254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.047254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.047254 (E_RNA)
where:
Base-Base interactions energy: -97.988
where: short stacking energy: -50.907
Base-Backbone interact. energy: -0.030
local terms energy: -64.029399
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -88.121520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.121520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.121520 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -31.578
Base-Backbone interact. energy: 1.132
local terms energy: -56.327076
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -6.775
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: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -85.255976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.255976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.255976 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -31.614
Base-Backbone interact. energy: 0.189
local terms energy: -53.830803
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -3.246
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: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -265.378924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.378924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.378924 (E_RNA)
where:
Base-Base interactions energy: -179.556
where: short stacking energy: -67.115
Base-Backbone interact. energy: -0.372
local terms energy: -85.450879
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -23.354
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: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -219.027641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.027641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.027641 (E_RNA)
where:
Base-Base interactions energy: -138.923
where: short stacking energy: -65.381
Base-Backbone interact. energy: -0.804
local terms energy: -79.301017
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -209.145434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.145434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.145434 (E_RNA)
where:
Base-Base interactions energy: -129.030
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.211
local terms energy: -79.904026
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -209.411628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.411628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.411628 (E_RNA)
where:
Base-Base interactions energy: -124.106
where: short stacking energy: -66.527
Base-Backbone interact. energy: 0.607
local terms energy: -85.912974
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -22.972
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: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -191.546145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.546145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.546145 (E_RNA)
where:
Base-Base interactions energy: -129.562
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.109
local terms energy: -61.874916
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.023
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: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -164.277384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.277384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.277384 (E_RNA)
where:
Base-Base interactions energy: -94.767
where: short stacking energy: -44.766
Base-Backbone interact. energy: -1.671
local terms energy: -67.838959
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -10.378
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: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -183.137906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.137906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.137906 (E_RNA)
where:
Base-Base interactions energy: -116.535
where: short stacking energy: -48.100
Base-Backbone interact. energy: -0.401
local terms energy: -66.201691
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -164.950019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.950019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.950019 (E_RNA)
where:
Base-Base interactions energy: -101.470
where: short stacking energy: -40.167
Base-Backbone interact. energy: -0.080
local terms energy: -63.400502
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -9.785
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: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -87.040227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.040227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.040227 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -29.911
Base-Backbone interact. energy: -0.307
local terms energy: -57.022295
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -78.487519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.487519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.487519 (E_RNA)
where:
Base-Base interactions energy: -31.973
where: short stacking energy: -21.946
Base-Backbone interact. energy: -0.377
local terms energy: -46.137690
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -5.524
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: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -262.690203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.690203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.690203 (E_RNA)
where:
Base-Base interactions energy: -174.655
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.527
local terms energy: -87.508708
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -20.405
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: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -221.164234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.164234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.164234 (E_RNA)
where:
Base-Base interactions energy: -152.346
where: short stacking energy: -52.410
Base-Backbone interact. energy: -0.810
local terms energy: -68.008074
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -13.258
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: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -217.816596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.816596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.816596 (E_RNA)
where:
Base-Base interactions energy: -136.696
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.012
local terms energy: -81.108687
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -198.209606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.209606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.209606 (E_RNA)
where:
Base-Base interactions energy: -132.318
where: short stacking energy: -50.260
Base-Backbone interact. energy: -0.101
local terms energy: -65.789824
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -210.779860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.779860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.779860 (E_RNA)
where:
Base-Base interactions energy: -135.895
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.175
local terms energy: -74.709466
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -170.674026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.674026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.674026 (E_RNA)
where:
Base-Base interactions energy: -99.502
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.023
local terms energy: -71.149064
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -190.422935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.422935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.422935 (E_RNA)
where:
Base-Base interactions energy: -122.166
where: short stacking energy: -46.373
Base-Backbone interact. energy: -0.035
local terms energy: -68.222273
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -8.400
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: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -157.933922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.933922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.933922 (E_RNA)
where:
Base-Base interactions energy: -99.187
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.104
local terms energy: -58.642660
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -86.114841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.114841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.114841 (E_RNA)
where:
Base-Base interactions energy: -31.486
where: short stacking energy: -31.486
Base-Backbone interact. energy: 0.454
local terms energy: -55.083215
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -4.315
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: 128
Temperature: 1.350000
Total energy: -74.766775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.766775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.766775 (E_RNA)
where:
Base-Base interactions energy: -19.562
where: short stacking energy: -16.648
Base-Backbone interact. energy: 1.818
local terms energy: -57.023023
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -256.699189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.699189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.699189 (E_RNA)
where:
Base-Base interactions energy: -171.994
where: short stacking energy: -55.257
Base-Backbone interact. energy: 0.166
local terms energy: -84.871639
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -208.786016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.786016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.786016 (E_RNA)
where:
Base-Base interactions energy: -140.522
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.207
local terms energy: -68.056566
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -209.799191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.799191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.799191 (E_RNA)
where:
Base-Base interactions energy: -125.178
where: short stacking energy: -61.109
Base-Backbone interact. energy: -1.379
local terms energy: -83.242698
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -203.982380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.982380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.982380 (E_RNA)
where:
Base-Base interactions energy: -127.003
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.007
local terms energy: -76.971694
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -195.520032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.520032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.520032 (E_RNA)
where:
Base-Base interactions energy: -121.660
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.001
local terms energy: -73.859130
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -198.773870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.773870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.773870 (E_RNA)
where:
Base-Base interactions energy: -121.755
where: short stacking energy: -63.781
Base-Backbone interact. energy: -1.085
local terms energy: -75.934116
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -160.511754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.511754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.511754 (E_RNA)
where:
Base-Base interactions energy: -102.129
where: short stacking energy: -42.609
Base-Backbone interact. energy: -0.990
local terms energy: -57.392335
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -7.445
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: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -112.304731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.304731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.304731 (E_RNA)
where:
Base-Base interactions energy: -50.056
where: short stacking energy: -44.421
Base-Backbone interact. energy: -0.175
local terms energy: -62.072898
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -7.733
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -144.543579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.543579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.543579 (E_RNA)
where:
Base-Base interactions energy: -94.212
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.297
local terms energy: -50.033888
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -3.854
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: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -81.860018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.860018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.860018 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -30.097
Base-Backbone interact. energy: -0.760
local terms energy: -51.003452
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -257.923745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.923745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.923745 (E_RNA)
where:
Base-Base interactions energy: -173.257
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.461
local terms energy: -84.205903
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -211.450250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.450250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450250 (E_RNA)
where:
Base-Base interactions energy: -125.126
where: short stacking energy: -64.536
Base-Backbone interact. energy: -1.741
local terms energy: -84.583646
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -16.946
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: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -214.315880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315880 (E_RNA)
where:
Base-Base interactions energy: -128.477
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.058
local terms energy: -85.781530
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -228.429552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.429552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.429552 (E_RNA)
where:
Base-Base interactions energy: -145.096
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.030
local terms energy: -83.303693
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -22.198
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: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -203.674514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.674514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.674514 (E_RNA)
where:
Base-Base interactions energy: -122.834
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.002
local terms energy: -80.838596
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -174.718914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.718914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.718914 (E_RNA)
where:
Base-Base interactions energy: -114.301
where: short stacking energy: -46.909
Base-Backbone interact. energy: -0.117
local terms energy: -60.301385
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -152.487050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.487050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.487050 (E_RNA)
where:
Base-Base interactions energy: -85.416
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.261
local terms energy: -66.810256
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -93.374864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.374864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.374864 (E_RNA)
where:
Base-Base interactions energy: -34.247
where: short stacking energy: -30.278
Base-Backbone interact. energy: -0.059
local terms energy: -59.068918
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -5.928
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: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -141.082891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.082891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.082891 (E_RNA)
where:
Base-Base interactions energy: -80.283
where: short stacking energy: -36.888
Base-Backbone interact. energy: -1.111
local terms energy: -59.688852
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -90.269403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.269403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.269403 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.021
local terms energy: -53.943423
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -4.620
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: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -256.454070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.454070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.454070 (E_RNA)
where:
Base-Base interactions energy: -166.283
where: short stacking energy: -65.372
Base-Backbone interact. energy: -0.376
local terms energy: -89.795172
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -235.890425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.890425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.890425 (E_RNA)
where:
Base-Base interactions energy: -155.729
where: short stacking energy: -68.066
Base-Backbone interact. energy: -1.089
local terms energy: -79.073228
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -20.731
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: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -219.756776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.756776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.756776 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.020
local terms energy: -80.958176
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -12.891
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: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -213.712557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.712557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.712557 (E_RNA)
where:
Base-Base interactions energy: -127.047
where: short stacking energy: -57.497
Base-Backbone interact. energy: -0.328
local terms energy: -86.336593
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -194.814882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.814882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.814882 (E_RNA)
where:
Base-Base interactions energy: -128.479
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.776
local terms energy: -65.559843
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -9.234
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: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -168.731498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.731498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.731498 (E_RNA)
where:
Base-Base interactions energy: -101.278
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.292
local terms energy: -67.160631
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -5.524
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: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -159.710995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.710995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.710995 (E_RNA)
where:
Base-Base interactions energy: -87.829
where: short stacking energy: -46.090
Base-Backbone interact. energy: -0.901
local terms energy: -70.980304
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -10.187
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: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -169.118275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.118275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.118275 (E_RNA)
where:
Base-Base interactions energy: -107.900
where: short stacking energy: -51.398
Base-Backbone interact. energy: -0.032
local terms energy: -61.185748
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -12.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -83.026688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.026688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.026688 (E_RNA)
where:
Base-Base interactions energy: -36.050
where: short stacking energy: -29.906
Base-Backbone interact. energy: 0.009
local terms energy: -46.985766
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: 0.445
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: 131
Temperature: 1.350000
Total energy: -80.619127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.619127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.619127 (E_RNA)
where:
Base-Base interactions energy: -31.979
where: short stacking energy: -27.427
Base-Backbone interact. energy: -0.263
local terms energy: -48.377284
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -255.260278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.260278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.260278 (E_RNA)
where:
Base-Base interactions energy: -161.974
where: short stacking energy: -70.029
Base-Backbone interact. energy: -1.016
local terms energy: -92.269817
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -25.417
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: 132
Temperature: 0.950000
Total energy: -250.313297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.313297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.313297 (E_RNA)
where:
Base-Base interactions energy: -169.332
where: short stacking energy: -65.483
Base-Backbone interact. energy: 0.284
local terms energy: -81.264756
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -220.285674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.285674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.285674 (E_RNA)
where:
Base-Base interactions energy: -137.800
where: short stacking energy: -70.319
Base-Backbone interact. energy: -0.029
local terms energy: -82.456429
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -213.423139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.423139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.423139 (E_RNA)
where:
Base-Base interactions energy: -135.569
where: short stacking energy: -70.998
Base-Backbone interact. energy: -0.286
local terms energy: -77.568170
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -190.731959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.731959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.731959 (E_RNA)
where:
Base-Base interactions energy: -111.795
where: short stacking energy: -57.355
Base-Backbone interact. energy: -0.004
local terms energy: -78.932425
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -187.940800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.940800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.940800 (E_RNA)
where:
Base-Base interactions energy: -118.378
where: short stacking energy: -61.104
Base-Backbone interact. energy: 0.423
local terms energy: -69.985741
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -182.805680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.805680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.805680 (E_RNA)
where:
Base-Base interactions energy: -123.501
where: short stacking energy: -62.708
Base-Backbone interact. energy: 2.054
local terms energy: -61.358464
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -7.647
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: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -143.226959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.226959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.226959 (E_RNA)
where:
Base-Base interactions energy: -79.630
where: short stacking energy: -46.715
Base-Backbone interact. energy: -0.448
local terms energy: -63.149410
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -93.877695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.877695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.877695 (E_RNA)
where:
Base-Base interactions energy: -37.820
where: short stacking energy: -22.366
Base-Backbone interact. energy: -0.496
local terms energy: -55.561866
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -92.857210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.857210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.857210 (E_RNA)
where:
Base-Base interactions energy: -48.220
where: short stacking energy: -22.977
Base-Backbone interact. energy: -0.572
local terms energy: -44.065380
where:
bonds (distance) C4'-P energy: -6.573
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -253.697604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.697604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.697604 (E_RNA)
where:
Base-Base interactions energy: -159.421
where: short stacking energy: -66.327
Base-Backbone interact. energy: 0.026
local terms energy: -94.302411
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -254.002729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.002729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.002729 (E_RNA)
where:
Base-Base interactions energy: -169.563
where: short stacking energy: -75.081
Base-Backbone interact. energy: 2.069
local terms energy: -86.508999
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -22.633
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: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -213.616853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.616853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.616853 (E_RNA)
where:
Base-Base interactions energy: -127.630
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.090
local terms energy: -85.896791
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -18.466
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: 133
Temperature: 1.050000
Total energy: -205.987125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.987125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.987125 (E_RNA)
where:
Base-Base interactions energy: -123.397
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.539
local terms energy: -82.050743
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -16.976
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: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -211.244357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.244357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.244357 (E_RNA)
where:
Base-Base interactions energy: -128.915
where: short stacking energy: -66.696
Base-Backbone interact. energy: -0.047
local terms energy: -82.282434
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -22.879
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: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -177.213020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.213020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.213020 (E_RNA)
where:
Base-Base interactions energy: -114.982
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.551
local terms energy: -61.680168
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -179.387414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.387414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.387414 (E_RNA)
where:
Base-Base interactions energy: -106.289
where: short stacking energy: -49.972
Base-Backbone interact. energy: 0.522
local terms energy: -73.620413
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -90.499142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.499142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.499142 (E_RNA)
where:
Base-Base interactions energy: -33.495
where: short stacking energy: -33.495
Base-Backbone interact. energy: -0.347
local terms energy: -56.657524
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -97.143407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.143407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.143407 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -34.337
Base-Backbone interact. energy: -0.271
local terms energy: -57.710345
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -82.118519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.118519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.118519 (E_RNA)
where:
Base-Base interactions energy: -33.349
where: short stacking energy: -17.268
Base-Backbone interact. energy: -0.365
local terms energy: -48.404367
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -9.316
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: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -250.085953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.085953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.085953 (E_RNA)
where:
Base-Base interactions energy: -167.653
where: short stacking energy: -74.063
Base-Backbone interact. energy: -0.237
local terms energy: -82.196010
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -10.786
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: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -252.684666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.684666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.684666 (E_RNA)
where:
Base-Base interactions energy: -172.406
where: short stacking energy: -53.014
Base-Backbone interact. energy: 0.052
local terms energy: -80.330968
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -224.130840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.130840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.130840 (E_RNA)
where:
Base-Base interactions energy: -142.067
where: short stacking energy: -75.100
Base-Backbone interact. energy: 0.048
local terms energy: -82.112166
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -206.162153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.162153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.162153 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -66.114
Base-Backbone interact. energy: -0.097
local terms energy: -78.390521
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -206.249109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.249109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.249109 (E_RNA)
where:
Base-Base interactions energy: -131.087
where: short stacking energy: -71.820
Base-Backbone interact. energy: -0.001
local terms energy: -75.160900
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -157.925205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.925205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.925205 (E_RNA)
where:
Base-Base interactions energy: -107.950
where: short stacking energy: -37.345
Base-Backbone interact. energy: 1.739
local terms energy: -51.714324
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -181.576976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.576976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.576976 (E_RNA)
where:
Base-Base interactions energy: -112.667
where: short stacking energy: -50.153
Base-Backbone interact. energy: -0.277
local terms energy: -68.632883
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -10.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -94.452814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.452814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.452814 (E_RNA)
where:
Base-Base interactions energy: -39.317
where: short stacking energy: -29.075
Base-Backbone interact. energy: -0.272
local terms energy: -54.863184
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: 2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -96.480422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.480422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.480422 (E_RNA)
where:
Base-Base interactions energy: -35.142
where: short stacking energy: -21.760
Base-Backbone interact. energy: -0.736
local terms energy: -60.601964
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -80.599567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.599567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.599567 (E_RNA)
where:
Base-Base interactions energy: -24.211
where: short stacking energy: -12.948
Base-Backbone interact. energy: 0.279
local terms energy: -56.667965
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: 0.296
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: 135
Temperature: 0.900000
Total energy: -252.473915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.473915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.473915 (E_RNA)
where:
Base-Base interactions energy: -166.508
where: short stacking energy: -70.205
Base-Backbone interact. energy: -1.140
local terms energy: -84.825958
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -256.430538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.430538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.430538 (E_RNA)
where:
Base-Base interactions energy: -173.634
where: short stacking energy: -74.512
Base-Backbone interact. energy: -0.092
local terms energy: -82.704241
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -227.472689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.472689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.472689 (E_RNA)
where:
Base-Base interactions energy: -141.175
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.056
local terms energy: -86.242225
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -218.131476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.131476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.131476 (E_RNA)
where:
Base-Base interactions energy: -128.426
where: short stacking energy: -73.016
Base-Backbone interact. energy: -0.007
local terms energy: -89.698385
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -186.003354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.003354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.003354 (E_RNA)
where:
Base-Base interactions energy: -118.811
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.180
local terms energy: -67.012413
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.154
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: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -177.365823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.365823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.365823 (E_RNA)
where:
Base-Base interactions energy: -103.251
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.529
local terms energy: -73.585526
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -152.306361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.306361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.306361 (E_RNA)
where:
Base-Base interactions energy: -101.891
where: short stacking energy: -39.746
Base-Backbone interact. energy: -0.415
local terms energy: -50.001208
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -103.904101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.904101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.904101 (E_RNA)
where:
Base-Base interactions energy: -35.978
where: short stacking energy: -26.840
Base-Backbone interact. energy: -0.351
local terms energy: -67.575424
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -88.727109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.727109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.727109 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -25.695
Base-Backbone interact. energy: 1.885
local terms energy: -61.091927
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.901
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: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -83.440582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.440582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.440582 (E_RNA)
where:
Base-Base interactions energy: -22.631
where: short stacking energy: -22.535
Base-Backbone interact. energy: -0.099
local terms energy: -60.709803
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -5.405
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: 136
Temperature: 0.900000
Total energy: -257.785188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.785188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.785188 (E_RNA)
where:
Base-Base interactions energy: -177.700
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.426
local terms energy: -79.659433
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -21.069
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: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -255.378217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.378217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.378217 (E_RNA)
where:
Base-Base interactions energy: -168.401
where: short stacking energy: -72.531
Base-Backbone interact. energy: -0.116
local terms energy: -86.861880
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -221.998612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.998612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.998612 (E_RNA)
where:
Base-Base interactions energy: -131.490
where: short stacking energy: -65.181
Base-Backbone interact. energy: -1.379
local terms energy: -89.130501
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -197.543408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.543408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.543408 (E_RNA)
where:
Base-Base interactions energy: -117.559
where: short stacking energy: -52.958
Base-Backbone interact. energy: -0.099
local terms energy: -79.885263
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -15.735
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: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -191.250531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.250531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.250531 (E_RNA)
where:
Base-Base interactions energy: -121.211
where: short stacking energy: -56.240
Base-Backbone interact. energy: -0.022
local terms energy: -70.017671
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -11.202
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: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -152.697429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.697429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.697429 (E_RNA)
where:
Base-Base interactions energy: -94.450
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.739
local terms energy: -57.509189
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -150.205205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.205205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.205205 (E_RNA)
where:
Base-Base interactions energy: -92.557
where: short stacking energy: -34.198
Base-Backbone interact. energy: 0.722
local terms energy: -58.370644
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -106.977685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.977685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.977685 (E_RNA)
where:
Base-Base interactions energy: -49.808
where: short stacking energy: -30.160
Base-Backbone interact. energy: 0.020
local terms energy: -57.189932
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.593
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: 136
Temperature: 1.300000
Total energy: -94.058786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.058786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.058786 (E_RNA)
where:
Base-Base interactions energy: -33.450
where: short stacking energy: -30.517
Base-Backbone interact. energy: -1.104
local terms energy: -59.504142
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -89.838388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.838388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.838388 (E_RNA)
where:
Base-Base interactions energy: -28.532
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.124
local terms energy: -61.183304
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -261.944265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.944265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.944265 (E_RNA)
where:
Base-Base interactions energy: -174.078
where: short stacking energy: -78.101
Base-Backbone interact. energy: -0.495
local terms energy: -87.370911
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -248.572236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.572236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.572236 (E_RNA)
where:
Base-Base interactions energy: -159.723
where: short stacking energy: -65.289
Base-Backbone interact. energy: -0.584
local terms energy: -88.265899
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -21.900
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: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -217.790873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.790873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.790873 (E_RNA)
where:
Base-Base interactions energy: -138.140
where: short stacking energy: -75.149
Base-Backbone interact. energy: -0.334
local terms energy: -79.317230
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -189.241726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.241726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.241726 (E_RNA)
where:
Base-Base interactions energy: -112.404
where: short stacking energy: -54.163
Base-Backbone interact. energy: -0.153
local terms energy: -76.684642
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -15.489
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -209.363430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.363430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.363430 (E_RNA)
where:
Base-Base interactions energy: -130.287
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.656
local terms energy: -78.420855
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -190.253359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.253359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.253359 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.007
local terms energy: -74.180127
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -147.917524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.917524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.917524 (E_RNA)
where:
Base-Base interactions energy: -86.489
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.207
local terms energy: -61.222074
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -12.841
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: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -90.079141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.079141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.079141 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -29.469
Base-Backbone interact. energy: -0.104
local terms energy: -58.058937
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -85.658518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.658518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.658518 (E_RNA)
where:
Base-Base interactions energy: -45.817
where: short stacking energy: -30.543
Base-Backbone interact. energy: 1.114
local terms energy: -40.955644
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: 2.179
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -85.573377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.573377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.573377 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.478
local terms energy: -52.934052
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -258.977672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.977672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.977672 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -83.552
Base-Backbone interact. energy: 0.118
local terms energy: -86.905980
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -250.799560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.799560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.799560 (E_RNA)
where:
Base-Base interactions energy: -168.029
where: short stacking energy: -70.553
Base-Backbone interact. energy: -0.838
local terms energy: -81.932816
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -216.497127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.497127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.497127 (E_RNA)
where:
Base-Base interactions energy: -128.254
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.410
local terms energy: -87.833174
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -220.732784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.732784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.732784 (E_RNA)
where:
Base-Base interactions energy: -136.935
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.605
local terms energy: -83.193292
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -20.086
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: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -208.319858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.319858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.319858 (E_RNA)
where:
Base-Base interactions energy: -137.698
where: short stacking energy: -54.698
Base-Backbone interact. energy: -0.066
local terms energy: -70.555264
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -203.039133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.039133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.039133 (E_RNA)
where:
Base-Base interactions energy: -129.250
where: short stacking energy: -60.492
Base-Backbone interact. energy: -0.715
local terms energy: -73.074643
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -160.883036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.883036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.883036 (E_RNA)
where:
Base-Base interactions energy: -92.328
where: short stacking energy: -48.425
Base-Backbone interact. energy: -0.100
local terms energy: -68.455605
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -12.824
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: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -96.572424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572424 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -22.762
Base-Backbone interact. energy: -0.826
local terms energy: -62.941445
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -2.350
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: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -107.285016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.285016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.285016 (E_RNA)
where:
Base-Base interactions energy: -61.730
where: short stacking energy: -33.799
Base-Backbone interact. energy: -0.679
local terms energy: -44.875706
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -10.890
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: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -88.266425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266425 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -33.575
Base-Backbone interact. energy: -0.140
local terms energy: -51.642174
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -255.774423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.774423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.774423 (E_RNA)
where:
Base-Base interactions energy: -172.206
where: short stacking energy: -78.226
Base-Backbone interact. energy: -0.942
local terms energy: -82.626966
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -255.120934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.120934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.120934 (E_RNA)
where:
Base-Base interactions energy: -164.186
where: short stacking energy: -67.816
Base-Backbone interact. energy: -1.417
local terms energy: -89.517919
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -12.231
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: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -221.396196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.396196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.396196 (E_RNA)
where:
Base-Base interactions energy: -139.409
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.014
local terms energy: -81.973653
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -220.666710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.666710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.666710 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -72.928
Base-Backbone interact. energy: 0.080
local terms energy: -81.832644
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -201.703310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.703310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.703310 (E_RNA)
where:
Base-Base interactions energy: -127.097
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.127
local terms energy: -74.479212
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -16.505
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: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -199.821883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.821883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.821883 (E_RNA)
where:
Base-Base interactions energy: -127.880
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.099
local terms energy: -71.842758
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -148.713752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.713752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.713752 (E_RNA)
where:
Base-Base interactions energy: -77.640
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.171
local terms energy: -70.902813
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -107.199996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.199996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.199996 (E_RNA)
where:
Base-Base interactions energy: -53.493
where: short stacking energy: -29.870
Base-Backbone interact. energy: -0.245
local terms energy: -53.461504
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -89.106446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.106446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.106446 (E_RNA)
where:
Base-Base interactions energy: -37.394
where: short stacking energy: -32.355
Base-Backbone interact. energy: -0.360
local terms energy: -51.352816
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -4.452
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: 139
Temperature: 1.350000
Total energy: -80.679568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.679568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.679568 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.820
local terms energy: -51.407280
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -10.832
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: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -250.646731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.646731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.646731 (E_RNA)
where:
Base-Base interactions energy: -163.118
where: short stacking energy: -63.659
Base-Backbone interact. energy: -0.965
local terms energy: -86.563728
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -24.033
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: 140
Temperature: 0.950000
Total energy: -261.285569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.285569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.285569 (E_RNA)
where:
Base-Base interactions energy: -165.457
where: short stacking energy: -74.891
Base-Backbone interact. energy: -0.191
local terms energy: -95.637250
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -221.995720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.995720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.995720 (E_RNA)
where:
Base-Base interactions energy: -147.452
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.315
local terms energy: -74.228538
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -227.623643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.623643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.623643 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.012
local terms energy: -78.362438
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -19.457
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: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -170.839138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.839138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.839138 (E_RNA)
where:
Base-Base interactions energy: -102.078
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.388
local terms energy: -68.372688
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -8.407
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: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -212.210588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.210588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.210588 (E_RNA)
where:
Base-Base interactions energy: -131.124
where: short stacking energy: -67.895
Base-Backbone interact. energy: -0.995
local terms energy: -80.092034
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -166.572402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.572402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.572402 (E_RNA)
where:
Base-Base interactions energy: -97.998
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.104
local terms energy: -68.471178
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -126.862191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.862191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.862191 (E_RNA)
where:
Base-Base interactions energy: -56.371
where: short stacking energy: -29.600
Base-Backbone interact. energy: -0.100
local terms energy: -70.390477
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -85.490895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.490895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.490895 (E_RNA)
where:
Base-Base interactions energy: -41.253
where: short stacking energy: -18.683
Base-Backbone interact. energy: 1.290
local terms energy: -45.528252
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: 2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -85.486838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.486838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.486838 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -25.985
Base-Backbone interact. energy: -0.315
local terms energy: -48.628523
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: -1.651
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: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -252.648449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.648449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.648449 (E_RNA)
where:
Base-Base interactions energy: -163.085
where: short stacking energy: -69.772
Base-Backbone interact. energy: -0.568
local terms energy: -88.994745
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -259.851152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.851152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.851152 (E_RNA)
where:
Base-Base interactions energy: -168.028
where: short stacking energy: -71.783
Base-Backbone interact. energy: 0.210
local terms energy: -92.033719
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -209.957138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.957138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.957138 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -60.635
Base-Backbone interact. energy: -0.612
local terms energy: -76.705134
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -188.814196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.814196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.814196 (E_RNA)
where:
Base-Base interactions energy: -115.553
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.026
local terms energy: -73.235568
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -202.783738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.783738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.783738 (E_RNA)
where:
Base-Base interactions energy: -125.403
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.410
local terms energy: -76.971026
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -215.492821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.492821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.492821 (E_RNA)
where:
Base-Base interactions energy: -139.363
where: short stacking energy: -71.767
Base-Backbone interact. energy: 0.754
local terms energy: -76.883818
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -182.815535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.815535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.815535 (E_RNA)
where:
Base-Base interactions energy: -109.788
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.301
local terms energy: -72.726345
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -92.290244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.290244 (E_RNA)
where:
Base-Base interactions energy: -33.635
where: short stacking energy: -29.310
Base-Backbone interact. energy: -0.171
local terms energy: -58.484469
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -1.275
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: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -84.918064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.918064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.918064 (E_RNA)
where:
Base-Base interactions energy: -27.149
where: short stacking energy: -23.908
Base-Backbone interact. energy: -0.324
local terms energy: -57.445407
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -7.106
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: 141
Temperature: 1.350000
Total energy: -80.262683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.262683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.262683 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -25.750
Base-Backbone interact. energy: -0.152
local terms energy: -44.405237
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -266.469087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.469087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.469087 (E_RNA)
where:
Base-Base interactions energy: -174.877
where: short stacking energy: -73.704
Base-Backbone interact. energy: 0.838
local terms energy: -92.430053
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -26.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -255.493903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.493903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.493903 (E_RNA)
where:
Base-Base interactions energy: -176.011
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.707
local terms energy: -78.775709
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -223.795233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.795233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.795233 (E_RNA)
where:
Base-Base interactions energy: -141.764
where: short stacking energy: -69.932
Base-Backbone interact. energy: -1.372
local terms energy: -80.659567
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -19.955
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: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -202.119944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.119944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.119944 (E_RNA)
where:
Base-Base interactions energy: -122.065
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.431
local terms energy: -79.624047
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -191.691434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.691434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691434 (E_RNA)
where:
Base-Base interactions energy: -117.849
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.026
local terms energy: -73.815811
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -196.883657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.883657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.883657 (E_RNA)
where:
Base-Base interactions energy: -129.448
where: short stacking energy: -47.481
Base-Backbone interact. energy: 0.044
local terms energy: -67.479553
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -176.677043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677043 (E_RNA)
where:
Base-Base interactions energy: -112.119
where: short stacking energy: -49.540
Base-Backbone interact. energy: 0.828
local terms energy: -65.385920
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -15.779
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: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -101.834782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.834782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.834782 (E_RNA)
where:
Base-Base interactions energy: -42.090
where: short stacking energy: -39.039
Base-Backbone interact. energy: -0.666
local terms energy: -59.079653
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -98.606809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.606809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.606809 (E_RNA)
where:
Base-Base interactions energy: -46.502
where: short stacking energy: -20.655
Base-Backbone interact. energy: -1.270
local terms energy: -50.834676
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -79.749020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.749020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.749020 (E_RNA)
where:
Base-Base interactions energy: -28.066
where: short stacking energy: -25.317
Base-Backbone interact. energy: 1.652
local terms energy: -53.335049
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -256.489818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.489818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.489818 (E_RNA)
where:
Base-Base interactions energy: -172.339
where: short stacking energy: -72.865
Base-Backbone interact. energy: -0.710
local terms energy: -83.440777
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -242.746889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.746889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.746889 (E_RNA)
where:
Base-Base interactions energy: -163.827
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.094
local terms energy: -78.826167
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -222.358360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358360 (E_RNA)
where:
Base-Base interactions energy: -146.532
where: short stacking energy: -72.911
Base-Backbone interact. energy: -0.021
local terms energy: -75.805521
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -218.726914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.726914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.726914 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -63.827
Base-Backbone interact. energy: -1.676
local terms energy: -72.879457
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -207.077913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.077913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.077913 (E_RNA)
where:
Base-Base interactions energy: -130.862
where: short stacking energy: -64.990
Base-Backbone interact. energy: -0.099
local terms energy: -76.116790
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -212.006384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.006384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.006384 (E_RNA)
where:
Base-Base interactions energy: -134.069
where: short stacking energy: -58.401
Base-Backbone interact. energy: -0.005
local terms energy: -77.932786
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -193.150106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.150106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.150106 (E_RNA)
where:
Base-Base interactions energy: -126.021
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.177
local terms energy: -66.952479
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -89.670273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.670273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.670273 (E_RNA)
where:
Base-Base interactions energy: -52.780
where: short stacking energy: -22.003
Base-Backbone interact. energy: -0.080
local terms energy: -36.810110
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -7.620
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: 5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -82.181911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.181911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.181911 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.225
local terms energy: -49.931485
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: 5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -105.679399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.679399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.679399 (E_RNA)
where:
Base-Base interactions energy: -52.807
where: short stacking energy: -31.328
Base-Backbone interact. energy: 1.442
local terms energy: -54.314203
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -246.506393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.506393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.506393 (E_RNA)
where:
Base-Base interactions energy: -162.798
where: short stacking energy: -66.173
Base-Backbone interact. energy: 0.096
local terms energy: -83.804706
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -256.685666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.685666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.685666 (E_RNA)
where:
Base-Base interactions energy: -175.721
where: short stacking energy: -70.986
Base-Backbone interact. energy: 0.035
local terms energy: -81.000647
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -19.685
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: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -226.953427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.953427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.953427 (E_RNA)
where:
Base-Base interactions energy: -138.849
where: short stacking energy: -74.210
Base-Backbone interact. energy: -0.038
local terms energy: -88.065967
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -216.510179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510179 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.376
local terms energy: -79.079585
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -15.094
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: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -191.168129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.168129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.168129 (E_RNA)
where:
Base-Base interactions energy: -121.406
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.070
local terms energy: -69.692326
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -198.796163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.796163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.796163 (E_RNA)
where:
Base-Base interactions energy: -120.795
where: short stacking energy: -61.858
Base-Backbone interact. energy: 0.223
local terms energy: -78.224333
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -17.892
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: 144
Temperature: 1.200000
Total energy: -183.536296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.536296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.536296 (E_RNA)
where:
Base-Base interactions energy: -112.693
where: short stacking energy: -52.303
Base-Backbone interact. energy: -1.365
local terms energy: -69.478628
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -124.570610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.570610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.570610 (E_RNA)
where:
Base-Base interactions energy: -72.636
where: short stacking energy: -37.778
Base-Backbone interact. energy: 0.160
local terms energy: -52.093938
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -89.592301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.592301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.592301 (E_RNA)
where:
Base-Base interactions energy: -30.303
where: short stacking energy: -25.056
Base-Backbone interact. energy: -0.348
local terms energy: -58.941961
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -82.884120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.884120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.884120 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.174
local terms energy: -49.138441
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -255.544292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.544292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.544292 (E_RNA)
where:
Base-Base interactions energy: -168.698
where: short stacking energy: -70.234
Base-Backbone interact. energy: -0.345
local terms energy: -86.501332
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -251.659602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.659602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.659602 (E_RNA)
where:
Base-Base interactions energy: -164.433
where: short stacking energy: -76.744
Base-Backbone interact. energy: -0.130
local terms energy: -87.096768
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -23.646
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: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -231.181542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.181542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.181542 (E_RNA)
where:
Base-Base interactions energy: -152.442
where: short stacking energy: -61.970
Base-Backbone interact. energy: -0.461
local terms energy: -78.277821
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -198.433814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.433814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.433814 (E_RNA)
where:
Base-Base interactions energy: -129.454
where: short stacking energy: -68.603
Base-Backbone interact. energy: -0.399
local terms energy: -68.580552
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -13.399
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: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -180.557761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.557761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.557761 (E_RNA)
where:
Base-Base interactions energy: -113.587
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.214
local terms energy: -66.756656
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -196.300566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.300566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.300566 (E_RNA)
where:
Base-Base interactions energy: -127.997
where: short stacking energy: -55.202
Base-Backbone interact. energy: -0.108
local terms energy: -68.195702
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -155.847459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.847459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.847459 (E_RNA)
where:
Base-Base interactions energy: -91.828
where: short stacking energy: -44.046
Base-Backbone interact. energy: -0.199
local terms energy: -63.819844
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -108.157726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.157726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.157726 (E_RNA)
where:
Base-Base interactions energy: -51.063
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.583
local terms energy: -56.511451
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -5.086
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: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -91.013033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.013033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.013033 (E_RNA)
where:
Base-Base interactions energy: -43.343
where: short stacking energy: -25.141
Base-Backbone interact. energy: -0.197
local terms energy: -47.472829
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: 4.756
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: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -79.916634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.916634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.916634 (E_RNA)
where:
Base-Base interactions energy: -17.909
where: short stacking energy: -7.182
Base-Backbone interact. energy: -0.492
local terms energy: -61.516029
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -252.176845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.176845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.176845 (E_RNA)
where:
Base-Base interactions energy: -167.640
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.076
local terms energy: -84.461518
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -252.710929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.710929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.710929 (E_RNA)
where:
Base-Base interactions energy: -174.586
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.286
local terms energy: -77.839724
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -18.500
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: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -217.028187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.028187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.028187 (E_RNA)
where:
Base-Base interactions energy: -136.335
where: short stacking energy: -64.161
Base-Backbone interact. energy: -0.323
local terms energy: -80.370886
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -20.034
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: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -202.529606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.529606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.529606 (E_RNA)
where:
Base-Base interactions energy: -131.123
where: short stacking energy: -64.695
Base-Backbone interact. energy: 0.098
local terms energy: -71.504316
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -208.276241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.276241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.276241 (E_RNA)
where:
Base-Base interactions energy: -131.026
where: short stacking energy: -72.651
Base-Backbone interact. energy: 0.019
local terms energy: -77.268768
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -183.392182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.392182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.392182 (E_RNA)
where:
Base-Base interactions energy: -102.305
where: short stacking energy: -51.895
Base-Backbone interact. energy: -0.004
local terms energy: -81.082639
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -151.930660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.930660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.930660 (E_RNA)
where:
Base-Base interactions energy: -85.391
where: short stacking energy: -43.895
Base-Backbone interact. energy: -0.677
local terms energy: -65.863228
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -99.535872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.535872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.535872 (E_RNA)
where:
Base-Base interactions energy: -50.780
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.852
local terms energy: -47.904034
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -123.688370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.688370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.688370 (E_RNA)
where:
Base-Base interactions energy: -73.985
where: short stacking energy: -32.841
Base-Backbone interact. energy: -1.298
local terms energy: -48.405494
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -2.287
tors. eta vs tors. theta energy: -7.589
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: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -91.416460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.416460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.416460 (E_RNA)
where:
Base-Base interactions energy: -29.422
where: short stacking energy: -27.280
Base-Backbone interact. energy: 0.114
local terms energy: -62.108657
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -5.903
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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -252.269710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.269710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.269710 (E_RNA)
where:
Base-Base interactions energy: -171.573
where: short stacking energy: -70.980
Base-Backbone interact. energy: -0.604
local terms energy: -80.092652
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -247.876555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.876555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.876555 (E_RNA)
where:
Base-Base interactions energy: -172.458
where: short stacking energy: -60.181
Base-Backbone interact. energy: -0.149
local terms energy: -75.269679
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -195.973445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.973445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.973445 (E_RNA)
where:
Base-Base interactions energy: -120.456
where: short stacking energy: -61.956
Base-Backbone interact. energy: -0.028
local terms energy: -75.489845
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -202.108374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.108374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.108374 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.033
local terms energy: -73.134714
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -22.958
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: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -216.374676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.374676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.374676 (E_RNA)
where:
Base-Base interactions energy: -139.109
where: short stacking energy: -80.079
Base-Backbone interact. energy: 0.828
local terms energy: -78.093192
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -145.691869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.691869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.691869 (E_RNA)
where:
Base-Base interactions energy: -76.416
where: short stacking energy: -36.252
Base-Backbone interact. energy: -0.007
local terms energy: -69.268889
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -7.114
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: 147
Temperature: 1.200000
Total energy: -171.262595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.262595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.262595 (E_RNA)
where:
Base-Base interactions energy: -109.061
where: short stacking energy: -42.007
Base-Backbone interact. energy: 0.602
local terms energy: -62.803446
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -6.041
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: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -93.920412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.920412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.920412 (E_RNA)
where:
Base-Base interactions energy: -46.652
where: short stacking energy: -23.014
Base-Backbone interact. energy: -0.059
local terms energy: -47.209183
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: 0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -91.940704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.940704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.940704 (E_RNA)
where:
Base-Base interactions energy: -49.290
where: short stacking energy: -29.661
Base-Backbone interact. energy: 0.064
local terms energy: -42.714523
where:
bonds (distance) C4'-P energy: -7.243
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -1.572
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -83.306834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.306834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.306834 (E_RNA)
where:
Base-Base interactions energy: -33.462
where: short stacking energy: -35.508
Base-Backbone interact. energy: -0.230
local terms energy: -49.614301
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -0.071
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: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -254.216988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.216988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.216988 (E_RNA)
where:
Base-Base interactions energy: -168.259
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.587
local terms energy: -85.370824
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -252.130330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.130330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.130330 (E_RNA)
where:
Base-Base interactions energy: -167.343
where: short stacking energy: -68.974
Base-Backbone interact. energy: -0.759
local terms energy: -84.028716
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -211.959057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.959057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.959057 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -70.687
Base-Backbone interact. energy: -0.160
local terms energy: -74.288485
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -196.078333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.078333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.078333 (E_RNA)
where:
Base-Base interactions energy: -126.065
where: short stacking energy: -62.997
Base-Backbone interact. energy: 2.009
local terms energy: -72.022388
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -13.516
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: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -168.854207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.854207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.854207 (E_RNA)
where:
Base-Base interactions energy: -103.234
where: short stacking energy: -43.348
Base-Backbone interact. energy: -0.111
local terms energy: -65.509602
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -190.015799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.015799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.015799 (E_RNA)
where:
Base-Base interactions energy: -115.355
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.005
local terms energy: -74.656103
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -184.705776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.705776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.705776 (E_RNA)
where:
Base-Base interactions energy: -111.292
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.514
local terms energy: -72.900217
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -13.461
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: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -100.502096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.502096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.502096 (E_RNA)
where:
Base-Base interactions energy: -53.626
where: short stacking energy: -31.318
Base-Backbone interact. energy: -0.123
local terms energy: -46.753741
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -80.886626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.886626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.886626 (E_RNA)
where:
Base-Base interactions energy: -25.369
where: short stacking energy: -21.215
Base-Backbone interact. energy: -0.027
local terms energy: -55.490339
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -92.633077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.633077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.633077 (E_RNA)
where:
Base-Base interactions energy: -34.743
where: short stacking energy: -28.661
Base-Backbone interact. energy: -0.583
local terms energy: -57.307339
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -9.088
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: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -255.259952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.259952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.259952 (E_RNA)
where:
Base-Base interactions energy: -167.675
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.297
local terms energy: -87.288223
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -21.346
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: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -243.818489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.818489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.818489 (E_RNA)
where:
Base-Base interactions energy: -165.380
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.229
local terms energy: -78.209827
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -17.798
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: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -209.088783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.088783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.088783 (E_RNA)
where:
Base-Base interactions energy: -132.339
where: short stacking energy: -72.127
Base-Backbone interact. energy: -0.769
local terms energy: -75.980630
where:
bonds (distance) C4'-P energy: -7.125
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -196.700615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.700615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.700615 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -54.106
Base-Backbone interact. energy: -0.011
local terms energy: -75.565727
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -185.687304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.687304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.687304 (E_RNA)
where:
Base-Base interactions energy: -123.346
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.106
local terms energy: -62.235757
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -190.097037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.097037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.097037 (E_RNA)
where:
Base-Base interactions energy: -122.341
where: short stacking energy: -62.949
Base-Backbone interact. energy: -0.298
local terms energy: -67.458262
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -9.703
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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -138.393693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.393693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.393693 (E_RNA)
where:
Base-Base interactions energy: -69.856
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.082
local terms energy: -68.455652
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -97.116967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.116967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.116967 (E_RNA)
where:
Base-Base interactions energy: -38.050
where: short stacking energy: -34.369
Base-Backbone interact. energy: -0.525
local terms energy: -58.542015
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -82.587907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.587907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.587907 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -21.057
Base-Backbone interact. energy: -0.732
local terms energy: -50.879638
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -5.871
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -91.262664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.262664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.262664 (E_RNA)
where:
Base-Base interactions energy: -44.327
where: short stacking energy: -20.155
Base-Backbone interact. energy: 0.567
local terms energy: -47.503395
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -261.628105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.628105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.628105 (E_RNA)
where:
Base-Base interactions energy: -177.386
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.404
local terms energy: -83.837569
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -245.390433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.390433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.390433 (E_RNA)
where:
Base-Base interactions energy: -163.136
where: short stacking energy: -74.298
Base-Backbone interact. energy: 1.051
local terms energy: -83.304839
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -236.638627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.638627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.638627 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -82.534
Base-Backbone interact. energy: -0.976
local terms energy: -90.053107
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -196.866409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.866409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.866409 (E_RNA)
where:
Base-Base interactions energy: -122.325
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.259
local terms energy: -74.282280
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -174.557808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.557808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.557808 (E_RNA)
where:
Base-Base interactions energy: -104.890
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.229
local terms energy: -69.438598
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -187.701979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.701979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.701979 (E_RNA)
where:
Base-Base interactions energy: -119.368
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.439
local terms energy: -67.894883
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -17.124
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: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -131.948974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.948974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.948974 (E_RNA)
where:
Base-Base interactions energy: -77.126
where: short stacking energy: -36.105
Base-Backbone interact. energy: -0.394
local terms energy: -54.429093
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -4.995
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: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -87.846494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.846494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.846494 (E_RNA)
where:
Base-Base interactions energy: -31.667
where: short stacking energy: -22.336
Base-Backbone interact. energy: 0.540
local terms energy: -56.719664
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -87.703343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.703343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.703343 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -22.442
Base-Backbone interact. energy: 1.794
local terms energy: -47.317757
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: 2.199
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: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -78.692899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.692899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.692899 (E_RNA)
where:
Base-Base interactions energy: -29.944
where: short stacking energy: -23.650
Base-Backbone interact. energy: -0.721
local terms energy: -48.028408
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -7.051
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: 0.271
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: 151
Temperature: 0.900000
Total energy: -255.559642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.559642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.559642 (E_RNA)
where:
Base-Base interactions energy: -164.212
where: short stacking energy: -74.032
Base-Backbone interact. energy: -0.302
local terms energy: -91.045883
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -249.653087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.653087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.653087 (E_RNA)
where:
Base-Base interactions energy: -163.934
where: short stacking energy: -62.498
Base-Backbone interact. energy: 1.748
local terms energy: -87.466821
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -213.158876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.158876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.158876 (E_RNA)
where:
Base-Base interactions energy: -134.262
where: short stacking energy: -71.806
Base-Backbone interact. energy: -0.002
local terms energy: -78.894747
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -210.333077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.333077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.333077 (E_RNA)
where:
Base-Base interactions energy: -138.407
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.285
local terms energy: -71.640934
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -184.836939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.836939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.836939 (E_RNA)
where:
Base-Base interactions energy: -106.165
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.007
local terms energy: -78.665298
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -173.716016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.716016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.716016 (E_RNA)
where:
Base-Base interactions energy: -107.818
where: short stacking energy: -47.938
Base-Backbone interact. energy: -0.693
local terms energy: -65.204475
where:
bonds (distance) C4'-P energy: -7.081
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -100.744595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.744595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.744595 (E_RNA)
where:
Base-Base interactions energy: -40.960
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.133
local terms energy: -59.651461
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -1.099
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: 151
Temperature: 1.250000
Total energy: -85.833861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.833861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.833861 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.357
local terms energy: -51.892422
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -100.293013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.293013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.293013 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -27.157
Base-Backbone interact. energy: -0.138
local terms energy: -63.062321
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -89.256339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.256339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.256339 (E_RNA)
where:
Base-Base interactions energy: -40.248
where: short stacking energy: -31.766
Base-Backbone interact. energy: 0.560
local terms energy: -49.568687
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -1.770
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -257.414921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.414921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.414921 (E_RNA)
where:
Base-Base interactions energy: -168.581
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.247
local terms energy: -88.587567
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -243.727140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.727140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.727140 (E_RNA)
where:
Base-Base interactions energy: -173.108
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.289
local terms energy: -70.330926
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -19.007
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: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -224.537556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.537556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.537556 (E_RNA)
where:
Base-Base interactions energy: -143.509
where: short stacking energy: -80.923
Base-Backbone interact. energy: -0.084
local terms energy: -80.945003
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -203.166271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.166271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.166271 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -63.903
Base-Backbone interact. energy: -0.098
local terms energy: -75.874066
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -182.500241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.500241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.500241 (E_RNA)
where:
Base-Base interactions energy: -110.407
where: short stacking energy: -52.257
Base-Backbone interact. energy: -0.325
local terms energy: -71.768413
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -166.933520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.933520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.933520 (E_RNA)
where:
Base-Base interactions energy: -96.967
where: short stacking energy: -49.740
Base-Backbone interact. energy: -0.038
local terms energy: -69.928147
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -101.883572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.883572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.883572 (E_RNA)
where:
Base-Base interactions energy: -43.404
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.873
local terms energy: -57.607017
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -90.183274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.183274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.183274 (E_RNA)
where:
Base-Base interactions energy: -34.906
where: short stacking energy: -31.399
Base-Backbone interact. energy: 0.098
local terms energy: -55.375307
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -129.562108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.562108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.562108 (E_RNA)
where:
Base-Base interactions energy: -70.391
where: short stacking energy: -35.591
Base-Backbone interact. energy: 3.078
local terms energy: -62.248951
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -2.925
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: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -84.771597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.771597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.771597 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -20.272
Base-Backbone interact. energy: 0.086
local terms energy: -53.198619
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -13.460
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: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -254.761250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.761250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.761250 (E_RNA)
where:
Base-Base interactions energy: -167.015
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.157
local terms energy: -87.588707
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -21.713
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: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -215.374520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.374520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.374520 (E_RNA)
where:
Base-Base interactions energy: -136.716
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.147
local terms energy: -78.511854
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -235.662012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.662012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.662012 (E_RNA)
where:
Base-Base interactions energy: -161.026
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.548
local terms energy: -74.088560
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -15.412
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: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -205.642327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.642327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.642327 (E_RNA)
where:
Base-Base interactions energy: -128.544
where: short stacking energy: -66.311
Base-Backbone interact. energy: -0.093
local terms energy: -77.005927
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -177.789193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.789193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.789193 (E_RNA)
where:
Base-Base interactions energy: -104.015
where: short stacking energy: -57.205
Base-Backbone interact. energy: -0.324
local terms energy: -73.449788
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -16.026
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: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -161.576544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.576544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.576544 (E_RNA)
where:
Base-Base interactions energy: -104.474
where: short stacking energy: -47.360
Base-Backbone interact. energy: 1.731
local terms energy: -58.833713
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -7.828
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -90.509731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.509731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.509731 (E_RNA)
where:
Base-Base interactions energy: -29.037
where: short stacking energy: -29.037
Base-Backbone interact. energy: 0.998
local terms energy: -62.470290
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -170.070519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.070519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.070519 (E_RNA)
where:
Base-Base interactions energy: -103.296
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.054
local terms energy: -66.721326
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -92.058870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.058870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.058870 (E_RNA)
where:
Base-Base interactions energy: -36.882
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.225
local terms energy: -54.952490
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.738
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: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -85.942266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.942266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.942266 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -30.489
Base-Backbone interact. energy: -0.329
local terms energy: -55.629564
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -264.813802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.813802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.813802 (E_RNA)
where:
Base-Base interactions energy: -178.677
where: short stacking energy: -68.000
Base-Backbone interact. energy: 2.027
local terms energy: -88.164159
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -218.506098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.506098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.506098 (E_RNA)
where:
Base-Base interactions energy: -133.023
where: short stacking energy: -67.312
Base-Backbone interact. energy: -0.244
local terms energy: -85.239478
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -246.016977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.016977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.016977 (E_RNA)
where:
Base-Base interactions energy: -166.650
where: short stacking energy: -58.376
Base-Backbone interact. energy: 0.107
local terms energy: -79.473219
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -201.004268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.004268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.004268 (E_RNA)
where:
Base-Base interactions energy: -126.425
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.102
local terms energy: -74.476734
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -184.376601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.376601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.376601 (E_RNA)
where:
Base-Base interactions energy: -120.981
where: short stacking energy: -44.807
Base-Backbone interact. energy: -0.346
local terms energy: -63.049426
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -166.691905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.691905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.691905 (E_RNA)
where:
Base-Base interactions energy: -93.840
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.449
local terms energy: -72.402965
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -185.671473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.671473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.671473 (E_RNA)
where:
Base-Base interactions energy: -123.921
where: short stacking energy: -54.224
Base-Backbone interact. energy: 2.594
local terms energy: -64.344055
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -99.813650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.813650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.813650 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -31.153
Base-Backbone interact. energy: -0.355
local terms energy: -63.397235
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -99.000087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.000087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.000087 (E_RNA)
where:
Base-Base interactions energy: -36.673
where: short stacking energy: -36.030
Base-Backbone interact. energy: -0.484
local terms energy: -61.843477
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -80.269508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.269508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.269508 (E_RNA)
where:
Base-Base interactions energy: -27.633
where: short stacking energy: -19.589
Base-Backbone interact. energy: -0.304
local terms energy: -52.332386
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -9.850
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: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -251.528341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.528341 (E_RNA)
where:
Base-Base interactions energy: -166.734
where: short stacking energy: -64.194
Base-Backbone interact. energy: -0.072
local terms energy: -84.722773
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -19.044
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: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -249.046173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.046173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.046173 (E_RNA)
where:
Base-Base interactions energy: -165.613
where: short stacking energy: -72.964
Base-Backbone interact. energy: -0.484
local terms energy: -82.949393
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -221.723247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723247 (E_RNA)
where:
Base-Base interactions energy: -137.646
where: short stacking energy: -73.998
Base-Backbone interact. energy: 0.415
local terms energy: -84.491951
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -192.817098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.817098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.817098 (E_RNA)
where:
Base-Base interactions energy: -117.115
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.270
local terms energy: -75.432302
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -173.324107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.324107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.324107 (E_RNA)
where:
Base-Base interactions energy: -108.793
where: short stacking energy: -53.640
Base-Backbone interact. energy: -0.221
local terms energy: -64.309458
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -197.334313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.334313 (E_RNA)
where:
Base-Base interactions energy: -119.138
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.008
local terms energy: -78.189262
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -16.248
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: 155
Temperature: 1.200000
Total energy: -166.342477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.342477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.342477 (E_RNA)
where:
Base-Base interactions energy: -92.724
where: short stacking energy: -57.176
Base-Backbone interact. energy: -0.154
local terms energy: -73.464594
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -16.767
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: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -88.698443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698443 (E_RNA)
where:
Base-Base interactions energy: -32.922
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.735
local terms energy: -55.041446
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: 1.545
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: 155
Temperature: 1.300000
Total energy: -86.596074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596074 (E_RNA)
where:
Base-Base interactions energy: -29.141
where: short stacking energy: -28.353
Base-Backbone interact. energy: 0.311
local terms energy: -57.766482
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -93.503474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.503474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.503474 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -39.070
Base-Backbone interact. energy: -0.230
local terms energy: -54.203042
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -251.979861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.979861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.979861 (E_RNA)
where:
Base-Base interactions energy: -176.309
where: short stacking energy: -55.443
Base-Backbone interact. energy: 1.058
local terms energy: -76.729594
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -241.431627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.431627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.431627 (E_RNA)
where:
Base-Base interactions energy: -157.946
where: short stacking energy: -69.888
Base-Backbone interact. energy: -0.105
local terms energy: -83.380599
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -220.478319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.478319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.478319 (E_RNA)
where:
Base-Base interactions energy: -136.252
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.124
local terms energy: -84.102608
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -196.048426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.048426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.048426 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.240
local terms energy: -76.448172
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -211.467502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.467502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.467502 (E_RNA)
where:
Base-Base interactions energy: -128.635
where: short stacking energy: -54.005
Base-Backbone interact. energy: -0.466
local terms energy: -82.366587
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -177.590627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.590627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.590627 (E_RNA)
where:
Base-Base interactions energy: -115.127
where: short stacking energy: -51.826
Base-Backbone interact. energy: -0.761
local terms energy: -61.702677
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -161.751890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.751890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.751890 (E_RNA)
where:
Base-Base interactions energy: -98.936
where: short stacking energy: -48.455
Base-Backbone interact. energy: -0.426
local terms energy: -62.390234
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -79.919770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.919770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.919770 (E_RNA)
where:
Base-Base interactions energy: -23.933
where: short stacking energy: -22.622
Base-Backbone interact. energy: -0.102
local terms energy: -55.885069
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -81.368266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.368266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.368266 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -25.441
Base-Backbone interact. energy: -0.281
local terms energy: -51.137349
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -9.596
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: 156
Temperature: 1.350000
Total energy: -81.171329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.171329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.171329 (E_RNA)
where:
Base-Base interactions energy: -29.762
where: short stacking energy: -29.041
Base-Backbone interact. energy: -0.135
local terms energy: -51.275072
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -4.826
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -258.808873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.808873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.808873 (E_RNA)
where:
Base-Base interactions energy: -172.811
where: short stacking energy: -80.873
Base-Backbone interact. energy: -0.649
local terms energy: -85.348131
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -258.225004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.225004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.225004 (E_RNA)
where:
Base-Base interactions energy: -174.840
where: short stacking energy: -72.784
Base-Backbone interact. energy: -0.567
local terms energy: -82.817892
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -21.799
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: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -225.161935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.161935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.161935 (E_RNA)
where:
Base-Base interactions energy: -145.104
where: short stacking energy: -68.663
Base-Backbone interact. energy: -0.165
local terms energy: -79.893245
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -212.833763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.833763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.833763 (E_RNA)
where:
Base-Base interactions energy: -138.636
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.897
local terms energy: -73.301422
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -17.701
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: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -222.096193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.096193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.096193 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.588
local terms energy: -76.861394
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -157.645971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.645971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.645971 (E_RNA)
where:
Base-Base interactions energy: -98.799
where: short stacking energy: -49.382
Base-Backbone interact. energy: -0.214
local terms energy: -58.632235
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -189.470558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.470558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.470558 (E_RNA)
where:
Base-Base interactions energy: -113.867
where: short stacking energy: -55.821
Base-Backbone interact. energy: 1.489
local terms energy: -77.091970
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -91.268446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.268446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.268446 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -30.460
Base-Backbone interact. energy: -0.437
local terms energy: -60.155846
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -0.598
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -77.031011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.031011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.031011 (E_RNA)
where:
Base-Base interactions energy: -25.416
where: short stacking energy: -21.860
Base-Backbone interact. energy: -0.831
local terms energy: -50.783568
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -89.514160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514160 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -32.637
Base-Backbone interact. energy: -0.290
local terms energy: -54.654601
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -256.331600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.331600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.331600 (E_RNA)
where:
Base-Base interactions energy: -183.599
where: short stacking energy: -69.897
Base-Backbone interact. energy: -1.265
local terms energy: -71.467642
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -247.104925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.104925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.104925 (E_RNA)
where:
Base-Base interactions energy: -162.093
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.885
local terms energy: -84.127087
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -229.599207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.599207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.599207 (E_RNA)
where:
Base-Base interactions energy: -151.557
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.070
local terms energy: -77.972668
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -17.105
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: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -210.729560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.729560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.729560 (E_RNA)
where:
Base-Base interactions energy: -142.860
where: short stacking energy: -63.597
Base-Backbone interact. energy: -0.332
local terms energy: -67.538160
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -170.839629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.839629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.839629 (E_RNA)
where:
Base-Base interactions energy: -109.868
where: short stacking energy: -44.184
Base-Backbone interact. energy: -0.208
local terms energy: -60.763540
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -213.651319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.651319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.651319 (E_RNA)
where:
Base-Base interactions energy: -137.574
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.048
local terms energy: -76.029298
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -156.137854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.137854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.137854 (E_RNA)
where:
Base-Base interactions energy: -98.081
where: short stacking energy: -43.218
Base-Backbone interact. energy: -0.173
local terms energy: -57.883887
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -151.444220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.444220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.444220 (E_RNA)
where:
Base-Base interactions energy: -89.004
where: short stacking energy: -42.631
Base-Backbone interact. energy: -0.249
local terms energy: -62.191293
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -81.724570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.724570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.724570 (E_RNA)
where:
Base-Base interactions energy: -21.608
where: short stacking energy: -19.619
Base-Backbone interact. energy: 1.823
local terms energy: -61.939378
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: 1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -79.647486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.647486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.647486 (E_RNA)
where:
Base-Base interactions energy: -29.263
where: short stacking energy: -27.937
Base-Backbone interact. energy: 2.508
local terms energy: -52.892382
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -261.138111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.138111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.138111 (E_RNA)
where:
Base-Base interactions energy: -171.784
where: short stacking energy: -72.205
Base-Backbone interact. energy: 0.466
local terms energy: -89.819674
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -248.220205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.220205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.220205 (E_RNA)
where:
Base-Base interactions energy: -166.456
where: short stacking energy: -77.470
Base-Backbone interact. energy: -0.177
local terms energy: -81.587300
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -236.427339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.427339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.427339 (E_RNA)
where:
Base-Base interactions energy: -164.432
where: short stacking energy: -65.081
Base-Backbone interact. energy: -1.114
local terms energy: -70.881225
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -211.259099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.259099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.259099 (E_RNA)
where:
Base-Base interactions energy: -143.058
where: short stacking energy: -55.622
Base-Backbone interact. energy: -0.036
local terms energy: -68.165201
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -189.266430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.266430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.266430 (E_RNA)
where:
Base-Base interactions energy: -123.824
where: short stacking energy: -55.938
Base-Backbone interact. energy: -0.076
local terms energy: -65.366211
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -187.886043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.886043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.886043 (E_RNA)
where:
Base-Base interactions energy: -114.403
where: short stacking energy: -51.673
Base-Backbone interact. energy: -0.365
local terms energy: -73.117672
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -170.789757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.789757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.789757 (E_RNA)
where:
Base-Base interactions energy: -98.276
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.111
local terms energy: -72.402431
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -186.464079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.464079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.464079 (E_RNA)
where:
Base-Base interactions energy: -114.326
where: short stacking energy: -54.173
Base-Backbone interact. energy: -0.222
local terms energy: -71.915661
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -88.646346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.646346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.646346 (E_RNA)
where:
Base-Base interactions energy: -34.775
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.020
local terms energy: -53.851876
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.039155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.039155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.039155 (E_RNA)
where:
Base-Base interactions energy: -22.547
where: short stacking energy: -22.847
Base-Backbone interact. energy: -0.456
local terms energy: -57.035590
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -2.008
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: 160
Temperature: 0.900000
Total energy: -242.387420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.387420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.387420 (E_RNA)
where:
Base-Base interactions energy: -153.798
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.458
local terms energy: -88.131036
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -21.318
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: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -253.571737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.571737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.571737 (E_RNA)
where:
Base-Base interactions energy: -164.665
where: short stacking energy: -67.478
Base-Backbone interact. energy: -0.478
local terms energy: -88.428183
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -218.182211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.182211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.182211 (E_RNA)
where:
Base-Base interactions energy: -143.441
where: short stacking energy: -63.294
Base-Backbone interact. energy: 0.012
local terms energy: -74.753177
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -224.224996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.224996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.224996 (E_RNA)
where:
Base-Base interactions energy: -149.374
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.063
local terms energy: -74.788339
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -204.996706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.996706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.996706 (E_RNA)
where:
Base-Base interactions energy: -135.642
where: short stacking energy: -58.467
Base-Backbone interact. energy: -0.109
local terms energy: -69.245742
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -181.260991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.260991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.260991 (E_RNA)
where:
Base-Base interactions energy: -115.083
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.368
local terms energy: -65.809798
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -182.956681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.956681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.956681 (E_RNA)
where:
Base-Base interactions energy: -113.744
where: short stacking energy: -46.320
Base-Backbone interact. energy: -1.136
local terms energy: -68.076924
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -133.769650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.769650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.769650 (E_RNA)
where:
Base-Base interactions energy: -67.132
where: short stacking energy: -36.146
Base-Backbone interact. energy: -0.230
local terms energy: -66.407393
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -107.523884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.523884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.523884 (E_RNA)
where:
Base-Base interactions energy: -56.139
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.132
local terms energy: -51.253258
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -82.251536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.251536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.251536 (E_RNA)
where:
Base-Base interactions energy: -32.356
where: short stacking energy: -23.871
Base-Backbone interact. energy: 0.740
local terms energy: -50.635684
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -1.721
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: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -230.684067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.684067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.684067 (E_RNA)
where:
Base-Base interactions energy: -145.703
where: short stacking energy: -71.812
Base-Backbone interact. energy: 0.520
local terms energy: -85.501130
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -256.017872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.017872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.017872 (E_RNA)
where:
Base-Base interactions energy: -170.622
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.639
local terms energy: -84.756359
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -218.160791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.160791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.160791 (E_RNA)
where:
Base-Base interactions energy: -139.375
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.113
local terms energy: -78.672480
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -216.582167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.582167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.582167 (E_RNA)
where:
Base-Base interactions energy: -147.746
where: short stacking energy: -61.357
Base-Backbone interact. energy: -0.048
local terms energy: -68.788615
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -16.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -219.468247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.468247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.468247 (E_RNA)
where:
Base-Base interactions energy: -143.628
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.621
local terms energy: -75.219374
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -167.642679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.642679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.642679 (E_RNA)
where:
Base-Base interactions energy: -102.604
where: short stacking energy: -48.905
Base-Backbone interact. energy: -0.411
local terms energy: -64.627740
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -171.566176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.566176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.566176 (E_RNA)
where:
Base-Base interactions energy: -101.231
where: short stacking energy: -52.976
Base-Backbone interact. energy: -0.115
local terms energy: -70.220319
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -8.633
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: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -101.588465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.588465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.588465 (E_RNA)
where:
Base-Base interactions energy: -38.707
where: short stacking energy: -23.827
Base-Backbone interact. energy: -0.236
local terms energy: -62.645276
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -3.347
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: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -92.201824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.201824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.201824 (E_RNA)
where:
Base-Base interactions energy: -33.449
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.391
local terms energy: -58.361879
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -79.493582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.493582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.493582 (E_RNA)
where:
Base-Base interactions energy: -30.221
where: short stacking energy: -17.268
Base-Backbone interact. energy: 0.225
local terms energy: -49.498442
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: 1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -254.575752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.575752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.575752 (E_RNA)
where:
Base-Base interactions energy: -163.018
where: short stacking energy: -66.871
Base-Backbone interact. energy: -0.239
local terms energy: -91.318732
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -235.917213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.917213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.917213 (E_RNA)
where:
Base-Base interactions energy: -150.689
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.305
local terms energy: -84.923272
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -217.322955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.322955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.322955 (E_RNA)
where:
Base-Base interactions energy: -135.401
where: short stacking energy: -68.831
Base-Backbone interact. energy: -0.252
local terms energy: -81.669372
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -208.913275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913275 (E_RNA)
where:
Base-Base interactions energy: -129.856
where: short stacking energy: -63.900
Base-Backbone interact. energy: -0.012
local terms energy: -79.044930
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -13.829
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: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -227.507806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.507806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.507806 (E_RNA)
where:
Base-Base interactions energy: -150.896
where: short stacking energy: -63.182
Base-Backbone interact. energy: -1.670
local terms energy: -74.942033
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -153.702026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.702026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.702026 (E_RNA)
where:
Base-Base interactions energy: -83.390
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.139
local terms energy: -70.173339
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -186.767842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.767842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.767842 (E_RNA)
where:
Base-Base interactions energy: -123.350
where: short stacking energy: -53.980
Base-Backbone interact. energy: -0.443
local terms energy: -62.974985
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -12.815
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: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -86.369420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.369420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.369420 (E_RNA)
where:
Base-Base interactions energy: -32.368
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.994
local terms energy: -53.007329
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -110.102558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.102558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.102558 (E_RNA)
where:
Base-Base interactions energy: -52.013
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.951
local terms energy: -57.138737
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -82.102695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.102695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.102695 (E_RNA)
where:
Base-Base interactions energy: -24.910
where: short stacking energy: -24.218
Base-Backbone interact. energy: 0.362
local terms energy: -57.554625
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -252.010416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.010416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.010416 (E_RNA)
where:
Base-Base interactions energy: -166.407
where: short stacking energy: -71.074
Base-Backbone interact. energy: 0.366
local terms energy: -85.969590
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -17.849
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: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -234.246650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.246650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.246650 (E_RNA)
where:
Base-Base interactions energy: -143.157
where: short stacking energy: -70.979
Base-Backbone interact. energy: -0.010
local terms energy: -91.080197
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -223.704317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.704317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.704317 (E_RNA)
where:
Base-Base interactions energy: -145.248
where: short stacking energy: -62.428
Base-Backbone interact. energy: 5.723
local terms energy: -84.179286
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -204.580381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.580381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.580381 (E_RNA)
where:
Base-Base interactions energy: -136.430
where: short stacking energy: -51.638
Base-Backbone interact. energy: -0.088
local terms energy: -68.062909
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -182.709901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.709901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.709901 (E_RNA)
where:
Base-Base interactions energy: -110.498
where: short stacking energy: -49.544
Base-Backbone interact. energy: -0.135
local terms energy: -72.076249
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -191.834955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.834955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.834955 (E_RNA)
where:
Base-Base interactions energy: -130.245
where: short stacking energy: -60.034
Base-Backbone interact. energy: -0.157
local terms energy: -61.433328
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -13.549
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: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -151.911097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.911097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.911097 (E_RNA)
where:
Base-Base interactions energy: -98.292
where: short stacking energy: -41.396
Base-Backbone interact. energy: -0.626
local terms energy: -52.993694
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -85.949106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.949106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.949106 (E_RNA)
where:
Base-Base interactions energy: -35.435
where: short stacking energy: -29.090
Base-Backbone interact. energy: -0.104
local terms energy: -50.410163
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -2.738
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: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -83.913674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.913674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.913674 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.241
local terms energy: -49.399175
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -81.431218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.431218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.431218 (E_RNA)
where:
Base-Base interactions energy: -23.161
where: short stacking energy: -17.703
Base-Backbone interact. energy: -1.075
local terms energy: -57.194863
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -232.883240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.883240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.883240 (E_RNA)
where:
Base-Base interactions energy: -148.121
where: short stacking energy: -71.618
Base-Backbone interact. energy: -0.046
local terms energy: -84.716794
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -248.228153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.228153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.228153 (E_RNA)
where:
Base-Base interactions energy: -169.853
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.704
local terms energy: -77.670485
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -19.187
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: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -234.810218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.810218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.810218 (E_RNA)
where:
Base-Base interactions energy: -155.877
where: short stacking energy: -61.007
Base-Backbone interact. energy: -0.207
local terms energy: -78.726399
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -221.293021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.293021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.293021 (E_RNA)
where:
Base-Base interactions energy: -133.241
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.001
local terms energy: -88.051402
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -180.243555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.243555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.243555 (E_RNA)
where:
Base-Base interactions energy: -109.317
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.029
local terms energy: -70.897432
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -13.758
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: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -201.862011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.862011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.862011 (E_RNA)
where:
Base-Base interactions energy: -123.497
where: short stacking energy: -56.569
Base-Backbone interact. energy: -0.113
local terms energy: -78.251704
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -16.778
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: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -171.362785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.362785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.362785 (E_RNA)
where:
Base-Base interactions energy: -107.714
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.406
local terms energy: -63.242421
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -110.142492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.142492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.142492 (E_RNA)
where:
Base-Base interactions energy: -50.838
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.055
local terms energy: -59.249062
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -2.136
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: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -79.973909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.973909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.973909 (E_RNA)
where:
Base-Base interactions energy: -21.118
where: short stacking energy: -20.550
Base-Backbone interact. energy: 0.761
local terms energy: -59.616883
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -0.115
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: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -84.029465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.029465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.029465 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -17.971
Base-Backbone interact. energy: -0.422
local terms energy: -49.408367
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: 4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -242.988058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.988058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.988058 (E_RNA)
where:
Base-Base interactions energy: -155.119
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.233
local terms energy: -87.636354
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -244.444911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.444911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.444911 (E_RNA)
where:
Base-Base interactions energy: -167.525
where: short stacking energy: -70.621
Base-Backbone interact. energy: 1.513
local terms energy: -78.432746
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -19.682
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: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -245.246728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.246728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.246728 (E_RNA)
where:
Base-Base interactions energy: -165.944
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.052
local terms energy: -79.251473
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -18.735
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: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -214.293503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.293503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.293503 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -55.890
Base-Backbone interact. energy: -0.261
local terms energy: -78.695332
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -170.377918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.377918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.377918 (E_RNA)
where:
Base-Base interactions energy: -101.265
where: short stacking energy: -50.549
Base-Backbone interact. energy: 0.150
local terms energy: -69.263892
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -194.126184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.126184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.126184 (E_RNA)
where:
Base-Base interactions energy: -119.695
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.016
local terms energy: -74.414612
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -169.440900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.440900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.440900 (E_RNA)
where:
Base-Base interactions energy: -108.530
where: short stacking energy: -41.938
Base-Backbone interact. energy: -0.205
local terms energy: -60.705574
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -129.852744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.852744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.852744 (E_RNA)
where:
Base-Base interactions energy: -67.081
where: short stacking energy: -40.316
Base-Backbone interact. energy: -0.182
local terms energy: -62.589335
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -90.325358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325358 (E_RNA)
where:
Base-Base interactions energy: -30.551
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.146
local terms energy: -59.627811
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -8.022
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -87.210046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.210046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.210046 (E_RNA)
where:
Base-Base interactions energy: -32.523
where: short stacking energy: -17.463
Base-Backbone interact. energy: -0.468
local terms energy: -54.218229
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -254.086377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.086377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.086377 (E_RNA)
where:
Base-Base interactions energy: -172.209
where: short stacking energy: -73.513
Base-Backbone interact. energy: -0.084
local terms energy: -81.793098
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -236.742870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.742870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.742870 (E_RNA)
where:
Base-Base interactions energy: -154.837
where: short stacking energy: -72.110
Base-Backbone interact. energy: -0.109
local terms energy: -81.796247
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -20.928
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: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -220.892659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.892659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.892659 (E_RNA)
where:
Base-Base interactions energy: -152.622
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.322
local terms energy: -67.948337
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -250.466174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.466174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.466174 (E_RNA)
where:
Base-Base interactions energy: -173.102
where: short stacking energy: -65.766
Base-Backbone interact. energy: -0.073
local terms energy: -77.291433
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -211.233603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.233603 (E_RNA)
where:
Base-Base interactions energy: -137.999
where: short stacking energy: -55.115
Base-Backbone interact. energy: -0.131
local terms energy: -73.103316
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -10.147
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: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -161.117236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.117236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.117236 (E_RNA)
where:
Base-Base interactions energy: -92.137
where: short stacking energy: -39.363
Base-Backbone interact. energy: -0.142
local terms energy: -68.838260
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -7.380
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: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -154.087468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.087468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.087468 (E_RNA)
where:
Base-Base interactions energy: -91.015
where: short stacking energy: -37.850
Base-Backbone interact. energy: -0.156
local terms energy: -62.917046
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -91.542820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.542820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.542820 (E_RNA)
where:
Base-Base interactions energy: -37.996
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.800
local terms energy: -52.746493
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -10.570
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: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -83.932385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.932385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.932385 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -23.699
Base-Backbone interact. energy: 1.395
local terms energy: -52.703200
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -81.492967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.492967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.492967 (E_RNA)
where:
Base-Base interactions energy: -27.129
where: short stacking energy: -17.967
Base-Backbone interact. energy: -0.071
local terms energy: -54.292028
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -253.958354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.958354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.958354 (E_RNA)
where:
Base-Base interactions energy: -174.861
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.270
local terms energy: -78.827158
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -21.696
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -224.717117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.717117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.717117 (E_RNA)
where:
Base-Base interactions energy: -143.735
where: short stacking energy: -67.176
Base-Backbone interact. energy: -1.177
local terms energy: -79.805169
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -217.216343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.216343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.216343 (E_RNA)
where:
Base-Base interactions energy: -137.162
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.011
local terms energy: -80.044133
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -202.744330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.744330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.744330 (E_RNA)
where:
Base-Base interactions energy: -132.785
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.026
local terms energy: -69.933807
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -13.434
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: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -238.884550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.884550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.884550 (E_RNA)
where:
Base-Base interactions energy: -164.269
where: short stacking energy: -69.015
Base-Backbone interact. energy: 0.292
local terms energy: -74.907097
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -19.877
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: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -166.590425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.590425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.590425 (E_RNA)
where:
Base-Base interactions energy: -101.768
where: short stacking energy: -45.501
Base-Backbone interact. energy: -0.697
local terms energy: -64.124773
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -157.255313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.255313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.255313 (E_RNA)
where:
Base-Base interactions energy: -102.382
where: short stacking energy: -39.188
Base-Backbone interact. energy: -0.353
local terms energy: -54.519694
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.772
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: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -86.847871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.847871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.847871 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -24.137
Base-Backbone interact. energy: 0.824
local terms energy: -57.784280
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -7.116
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: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -90.833465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.833465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.833465 (E_RNA)
where:
Base-Base interactions energy: -33.005
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.153
local terms energy: -57.674716
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -3.842
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: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -86.669354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.669354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.669354 (E_RNA)
where:
Base-Base interactions energy: -37.820
where: short stacking energy: -34.931
Base-Backbone interact. energy: -0.161
local terms energy: -48.688424
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -2.650
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: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -256.167214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.167214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.167214 (E_RNA)
where:
Base-Base interactions energy: -173.760
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.320
local terms energy: -82.086992
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -228.898232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.898232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.898232 (E_RNA)
where:
Base-Base interactions energy: -147.997
where: short stacking energy: -72.905
Base-Backbone interact. energy: 1.117
local terms energy: -82.018240
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -219.502103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.502103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.502103 (E_RNA)
where:
Base-Base interactions energy: -140.253
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.248
local terms energy: -79.000821
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -196.388786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.388786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.388786 (E_RNA)
where:
Base-Base interactions energy: -120.483
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.135
local terms energy: -75.770491
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -15.133
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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -238.183833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.183833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.183833 (E_RNA)
where:
Base-Base interactions energy: -161.459
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.222
local terms energy: -76.502072
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -189.406021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.406021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.406021 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.032
local terms energy: -66.139673
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -167.052740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.052740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.052740 (E_RNA)
where:
Base-Base interactions energy: -89.744
where: short stacking energy: -45.946
Base-Backbone interact. energy: -1.040
local terms energy: -76.268678
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -102.880071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.880071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.880071 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -20.150
Base-Backbone interact. energy: 0.111
local terms energy: -61.594083
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -81.704173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704173 (E_RNA)
where:
Base-Base interactions energy: -33.097
where: short stacking energy: -20.430
Base-Backbone interact. energy: -0.138
local terms energy: -48.469530
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -82.714926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.714926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.714926 (E_RNA)
where:
Base-Base interactions energy: -26.513
where: short stacking energy: -23.230
Base-Backbone interact. energy: -0.037
local terms energy: -56.165089
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -255.153163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.153163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.153163 (E_RNA)
where:
Base-Base interactions energy: -169.011
where: short stacking energy: -70.303
Base-Backbone interact. energy: -0.286
local terms energy: -85.855760
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -21.314
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: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -224.775929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.775929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.775929 (E_RNA)
where:
Base-Base interactions energy: -139.734
where: short stacking energy: -80.125
Base-Backbone interact. energy: -0.398
local terms energy: -84.644718
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -218.647012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.647012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.647012 (E_RNA)
where:
Base-Base interactions energy: -137.792
where: short stacking energy: -68.718
Base-Backbone interact. energy: -2.515
local terms energy: -78.339466
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -246.550625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.550625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.550625 (E_RNA)
where:
Base-Base interactions energy: -168.004
where: short stacking energy: -71.808
Base-Backbone interact. energy: 0.950
local terms energy: -79.496890
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -208.253904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.253904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.253904 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -59.174
Base-Backbone interact. energy: -0.087
local terms energy: -72.930519
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -187.761412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.761412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.761412 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -57.100
Base-Backbone interact. energy: -1.043
local terms energy: -65.121782
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -164.098748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.098748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.098748 (E_RNA)
where:
Base-Base interactions energy: -103.177
where: short stacking energy: -42.981
Base-Backbone interact. energy: -0.077
local terms energy: -60.844201
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -9.525
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: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -90.046375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.046375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.046375 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -30.175
Base-Backbone interact. energy: 0.855
local terms energy: -52.518982
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: 2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -104.488411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.488411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.488411 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -35.526
Base-Backbone interact. energy: -0.177
local terms energy: -68.885052
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -92.229844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.229844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.229844 (E_RNA)
where:
Base-Base interactions energy: -41.997
where: short stacking energy: -23.907
Base-Backbone interact. energy: -0.687
local terms energy: -49.545884
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -263.103361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.103361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.103361 (E_RNA)
where:
Base-Base interactions energy: -186.056
where: short stacking energy: -65.790
Base-Backbone interact. energy: -0.406
local terms energy: -76.640398
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -208.926144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.926144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.926144 (E_RNA)
where:
Base-Base interactions energy: -125.267
where: short stacking energy: -65.525
Base-Backbone interact. energy: -0.002
local terms energy: -83.657431
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -240.457665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.457665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.457665 (E_RNA)
where:
Base-Base interactions energy: -156.662
where: short stacking energy: -70.891
Base-Backbone interact. energy: -0.710
local terms energy: -83.085739
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -200.521947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.521947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.521947 (E_RNA)
where:
Base-Base interactions energy: -128.380
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.452
local terms energy: -71.690554
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -10.215
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: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -200.041227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.041227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.041227 (E_RNA)
where:
Base-Base interactions energy: -120.113
where: short stacking energy: -58.637
Base-Backbone interact. energy: -0.083
local terms energy: -79.844785
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -18.670
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: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -186.180130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.180130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.180130 (E_RNA)
where:
Base-Base interactions energy: -114.423
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.229
local terms energy: -71.528017
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -151.704514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.704514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.704514 (E_RNA)
where:
Base-Base interactions energy: -89.704
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.306
local terms energy: -61.694952
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -8.678
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: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -97.347374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.347374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.347374 (E_RNA)
where:
Base-Base interactions energy: -41.939
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.578
local terms energy: -54.830256
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -90.391941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391941 (E_RNA)
where:
Base-Base interactions energy: -34.292
where: short stacking energy: -34.292
Base-Backbone interact. energy: 0.986
local terms energy: -57.085782
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -76.798280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.798280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.798280 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -16.323
Base-Backbone interact. energy: -0.274
local terms energy: -46.118843
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -6.737
flat angles P-C4'-P energy: -9.128
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: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -255.750965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.750965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.750965 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -78.309
Base-Backbone interact. energy: -1.700
local terms energy: -87.901589
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -22.373
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -251.078255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.078255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.078255 (E_RNA)
where:
Base-Base interactions energy: -169.894
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.664
local terms energy: -80.520168
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -207.434562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.434562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.434562 (E_RNA)
where:
Base-Base interactions energy: -131.976
where: short stacking energy: -73.988
Base-Backbone interact. energy: -0.039
local terms energy: -75.420028
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -198.870096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.870096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.870096 (E_RNA)
where:
Base-Base interactions energy: -124.850
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.032
local terms energy: -73.987289
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -197.791224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.791224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.791224 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -51.352
Base-Backbone interact. energy: -0.560
local terms energy: -73.418800
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -152.939546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.939546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.939546 (E_RNA)
where:
Base-Base interactions energy: -93.651
where: short stacking energy: -44.472
Base-Backbone interact. energy: -0.212
local terms energy: -59.076485
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -181.365165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.365165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.365165 (E_RNA)
where:
Base-Base interactions energy: -113.305
where: short stacking energy: -52.430
Base-Backbone interact. energy: -0.607
local terms energy: -67.452935
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -90.043547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.043547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.043547 (E_RNA)
where:
Base-Base interactions energy: -26.822
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.078
local terms energy: -63.144409
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -80.722998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.722998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.722998 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -20.160
Base-Backbone interact. energy: -0.084
local terms energy: -49.754827
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: 2.831
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: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -100.284397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.284397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.284397 (E_RNA)
where:
Base-Base interactions energy: -44.581
where: short stacking energy: -36.762
Base-Backbone interact. energy: -0.427
local terms energy: -55.275643
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -255.520260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.520260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.520260 (E_RNA)
where:
Base-Base interactions energy: -171.644
where: short stacking energy: -64.035
Base-Backbone interact. energy: 0.224
local terms energy: -84.100755
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -258.323896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.323896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.323896 (E_RNA)
where:
Base-Base interactions energy: -175.126
where: short stacking energy: -78.927
Base-Backbone interact. energy: 0.174
local terms energy: -83.371809
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -214.326813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.326813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.326813 (E_RNA)
where:
Base-Base interactions energy: -135.730
where: short stacking energy: -65.544
Base-Backbone interact. energy: -0.284
local terms energy: -78.313344
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -187.393317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.393317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.393317 (E_RNA)
where:
Base-Base interactions energy: -117.175
where: short stacking energy: -62.130
Base-Backbone interact. energy: -1.807
local terms energy: -68.410850
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -204.601424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.601424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.601424 (E_RNA)
where:
Base-Base interactions energy: -126.970
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.024
local terms energy: -77.607312
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -159.176792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.176792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.176792 (E_RNA)
where:
Base-Base interactions energy: -99.074
where: short stacking energy: -44.294
Base-Backbone interact. energy: -1.757
local terms energy: -58.345969
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -181.938664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.938664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.938664 (E_RNA)
where:
Base-Base interactions energy: -115.139
where: short stacking energy: -54.090
Base-Backbone interact. energy: -0.364
local terms energy: -66.435590
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -96.794957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.794957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.794957 (E_RNA)
where:
Base-Base interactions energy: -49.424
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.139
local terms energy: -47.231425
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -0.719
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -84.350105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.350105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.350105 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -25.771
Base-Backbone interact. energy: -0.285
local terms energy: -50.135254
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: 3.706
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: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -89.411704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.411704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.411704 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -20.372
Base-Backbone interact. energy: -0.152
local terms energy: -54.172865
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.820
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: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -246.511571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.511571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.511571 (E_RNA)
where:
Base-Base interactions energy: -163.799
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.528
local terms energy: -82.184296
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -232.969808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.969808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.969808 (E_RNA)
where:
Base-Base interactions energy: -147.993
where: short stacking energy: -64.760
Base-Backbone interact. energy: 0.033
local terms energy: -85.010019
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -20.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -253.455655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.455655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.455655 (E_RNA)
where:
Base-Base interactions energy: -171.656
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.322
local terms energy: -81.477178
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -216.556024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.556024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.556024 (E_RNA)
where:
Base-Base interactions energy: -146.270
where: short stacking energy: -61.563
Base-Backbone interact. energy: 0.165
local terms energy: -70.450983
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -15.081
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: 173
Temperature: 1.100000
Total energy: -192.612284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.612284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.612284 (E_RNA)
where:
Base-Base interactions energy: -123.703
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.710
local terms energy: -68.199826
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -192.658410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.658410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.658410 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.099
local terms energy: -74.641336
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -165.189197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.189197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.189197 (E_RNA)
where:
Base-Base interactions energy: -97.666
where: short stacking energy: -46.997
Base-Backbone interact. energy: -0.080
local terms energy: -67.443145
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -96.815035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.815035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.815035 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -36.425
Base-Backbone interact. energy: -0.088
local terms energy: -56.572257
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -9.451
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: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -86.821710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.821710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.821710 (E_RNA)
where:
Base-Base interactions energy: -26.296
where: short stacking energy: -15.714
Base-Backbone interact. energy: -0.872
local terms energy: -59.653689
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -15.055
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: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -94.744950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.744950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.744950 (E_RNA)
where:
Base-Base interactions energy: -45.923
where: short stacking energy: -22.012
Base-Backbone interact. energy: -0.144
local terms energy: -48.677608
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -254.988941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.988941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.988941 (E_RNA)
where:
Base-Base interactions energy: -163.188
where: short stacking energy: -66.430
Base-Backbone interact. energy: 0.279
local terms energy: -92.080157
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -231.512814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.512814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.512814 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -72.829
Base-Backbone interact. energy: -0.041
local terms energy: -88.513021
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -252.085240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.085240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.085240 (E_RNA)
where:
Base-Base interactions energy: -173.851
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.139
local terms energy: -78.095011
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -20.040
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -216.449230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449230 (E_RNA)
where:
Base-Base interactions energy: -148.776
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.074
local terms energy: -67.598819
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -17.524
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: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -198.289609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.289609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.289609 (E_RNA)
where:
Base-Base interactions energy: -129.190
where: short stacking energy: -52.285
Base-Backbone interact. energy: 0.024
local terms energy: -69.123712
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -12.126
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: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -183.510075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.510075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.510075 (E_RNA)
where:
Base-Base interactions energy: -117.363
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.110
local terms energy: -66.037614
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -155.334620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.334620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.334620 (E_RNA)
where:
Base-Base interactions energy: -105.642
where: short stacking energy: -54.045
Base-Backbone interact. energy: -0.202
local terms energy: -49.490030
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -7.515
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -13.185
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: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -101.131332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.131332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.131332 (E_RNA)
where:
Base-Base interactions energy: -42.722
where: short stacking energy: -35.863
Base-Backbone interact. energy: -0.159
local terms energy: -58.250156
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -9.580
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: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -88.756527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.756527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.756527 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -30.263
Base-Backbone interact. energy: -0.221
local terms energy: -55.734470
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -3.831
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: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -81.909428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.909428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.909428 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -25.918
Base-Backbone interact. energy: -0.290
local terms energy: -49.058664
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -260.368939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.368939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.368939 (E_RNA)
where:
Base-Base interactions energy: -170.318
where: short stacking energy: -84.322
Base-Backbone interact. energy: -0.478
local terms energy: -89.573294
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -252.273911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.273911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.273911 (E_RNA)
where:
Base-Base interactions energy: -170.859
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.814
local terms energy: -80.600062
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -221.801593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.801593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.801593 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.626
local terms energy: -82.136996
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -195.687963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.687963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.687963 (E_RNA)
where:
Base-Base interactions energy: -127.551
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.040
local terms energy: -68.096156
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -18.659
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: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -207.278743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.278743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.278743 (E_RNA)
where:
Base-Base interactions energy: -133.527
where: short stacking energy: -72.479
Base-Backbone interact. energy: -0.008
local terms energy: -73.743649
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -19.898
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: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -174.397085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.397085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.397085 (E_RNA)
where:
Base-Base interactions energy: -121.161
where: short stacking energy: -44.552
Base-Backbone interact. energy: -0.358
local terms energy: -52.877823
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -5.109
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -171.799413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.799413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.799413 (E_RNA)
where:
Base-Base interactions energy: -105.194
where: short stacking energy: -44.683
Base-Backbone interact. energy: -0.167
local terms energy: -66.437760
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -9.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -86.963204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.963204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.963204 (E_RNA)
where:
Base-Base interactions energy: -30.420
where: short stacking energy: -28.123
Base-Backbone interact. energy: -0.015
local terms energy: -56.528598
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -96.585238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.585238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.585238 (E_RNA)
where:
Base-Base interactions energy: -40.035
where: short stacking energy: -24.265
Base-Backbone interact. energy: -0.043
local terms energy: -56.507111
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.296133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.296133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.296133 (E_RNA)
where:
Base-Base interactions energy: -36.148
where: short stacking energy: -30.909
Base-Backbone interact. energy: -0.135
local terms energy: -49.013148
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -2.606
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: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -256.286141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.286141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.286141 (E_RNA)
where:
Base-Base interactions energy: -169.981
where: short stacking energy: -70.233
Base-Backbone interact. energy: -0.568
local terms energy: -85.737159
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -22.484
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -243.392612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.392612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.392612 (E_RNA)
where:
Base-Base interactions energy: -163.969
where: short stacking energy: -73.643
Base-Backbone interact. energy: 1.457
local terms energy: -80.880820
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -13.017
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: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -214.199498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.199498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.199498 (E_RNA)
where:
Base-Base interactions energy: -128.721
where: short stacking energy: -62.726
Base-Backbone interact. energy: 0.460
local terms energy: -85.937864
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -19.530
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: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -204.118137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.118137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118137 (E_RNA)
where:
Base-Base interactions energy: -129.679
where: short stacking energy: -66.670
Base-Backbone interact. energy: -0.667
local terms energy: -73.772569
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -15.630
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: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -209.016488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.016488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.016488 (E_RNA)
where:
Base-Base interactions energy: -135.577
where: short stacking energy: -64.219
Base-Backbone interact. energy: -0.150
local terms energy: -73.289041
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -205.333824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.333824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.333824 (E_RNA)
where:
Base-Base interactions energy: -131.428
where: short stacking energy: -45.851
Base-Backbone interact. energy: -0.151
local terms energy: -73.754578
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -163.904759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.904759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.904759 (E_RNA)
where:
Base-Base interactions energy: -98.590
where: short stacking energy: -48.855
Base-Backbone interact. energy: -0.048
local terms energy: -65.266713
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -94.362112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.362112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.362112 (E_RNA)
where:
Base-Base interactions energy: -41.702
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.582
local terms energy: -52.078250
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -95.280770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.280770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.280770 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.009
local terms energy: -60.853510
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -74.752362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.752362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.752362 (E_RNA)
where:
Base-Base interactions energy: -30.322
where: short stacking energy: -20.129
Base-Backbone interact. energy: 0.726
local terms energy: -45.156916
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: 3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -256.855307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.855307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.855307 (E_RNA)
where:
Base-Base interactions energy: -174.488
where: short stacking energy: -75.409
Base-Backbone interact. energy: -0.300
local terms energy: -82.066631
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -19.966
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: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -229.684327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.684327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.684327 (E_RNA)
where:
Base-Base interactions energy: -151.297
where: short stacking energy: -69.092
Base-Backbone interact. energy: -1.741
local terms energy: -76.645884
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -16.321
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: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -239.415007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.415007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.415007 (E_RNA)
where:
Base-Base interactions energy: -168.827
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.409
local terms energy: -70.178729
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -195.212986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.212986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.212986 (E_RNA)
where:
Base-Base interactions energy: -116.822
where: short stacking energy: -56.693
Base-Backbone interact. energy: -0.289
local terms energy: -78.101019
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -199.878967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.878967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.878967 (E_RNA)
where:
Base-Base interactions energy: -129.962
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.047
local terms energy: -69.870212
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -184.870427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.870427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.870427 (E_RNA)
where:
Base-Base interactions energy: -113.774
where: short stacking energy: -61.007
Base-Backbone interact. energy: -0.133
local terms energy: -70.962889
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -161.086325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.086325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.086325 (E_RNA)
where:
Base-Base interactions energy: -100.643
where: short stacking energy: -39.498
Base-Backbone interact. energy: 0.557
local terms energy: -61.000431
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -93.119565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.119565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.119565 (E_RNA)
where:
Base-Base interactions energy: -31.629
where: short stacking energy: -29.080
Base-Backbone interact. energy: -0.299
local terms energy: -61.191928
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -96.051670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.051670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.051670 (E_RNA)
where:
Base-Base interactions energy: -47.256
where: short stacking energy: -22.963
Base-Backbone interact. energy: -0.088
local terms energy: -48.707306
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -94.769612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.769612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.769612 (E_RNA)
where:
Base-Base interactions energy: -40.560
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.036
local terms energy: -54.174393
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -4.584
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: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -239.059785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.059785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.059785 (E_RNA)
where:
Base-Base interactions energy: -155.602
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.158
local terms energy: -83.299297
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -246.258071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.258071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.258071 (E_RNA)
where:
Base-Base interactions energy: -167.736
where: short stacking energy: -66.403
Base-Backbone interact. energy: -0.250
local terms energy: -78.272881
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -236.401148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.401148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.401148 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -72.767
Base-Backbone interact. energy: -0.932
local terms energy: -77.221290
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -190.518323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.518323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.518323 (E_RNA)
where:
Base-Base interactions energy: -112.161
where: short stacking energy: -46.635
Base-Backbone interact. energy: -0.844
local terms energy: -77.513901
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -15.876
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: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -197.975113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.975113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.975113 (E_RNA)
where:
Base-Base interactions energy: -127.505
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.175
local terms energy: -70.295469
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -191.917485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.917485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.917485 (E_RNA)
where:
Base-Base interactions energy: -108.707
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.100
local terms energy: -83.110077
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -167.176388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.176388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.176388 (E_RNA)
where:
Base-Base interactions energy: -90.724
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.098
local terms energy: -76.354435
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -93.385670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.385670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.385670 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -31.607
Base-Backbone interact. energy: -0.189
local terms energy: -61.589132
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -6.073
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: 178
Temperature: 1.300000
Total energy: -101.243282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.243282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.243282 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -38.947
Base-Backbone interact. energy: -0.084
local terms energy: -61.370686
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -82.437968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437968 (E_RNA)
where:
Base-Base interactions energy: -37.038
where: short stacking energy: -25.501
Base-Backbone interact. energy: -0.456
local terms energy: -44.943869
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -0.735
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -242.634755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.634755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.634755 (E_RNA)
where:
Base-Base interactions energy: -154.651
where: short stacking energy: -76.883
Base-Backbone interact. energy: -0.133
local terms energy: -87.850195
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -24.485
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -248.730002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.730002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.730002 (E_RNA)
where:
Base-Base interactions energy: -159.923
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.758
local terms energy: -88.048960
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -20.256
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: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -251.928867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.928867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.928867 (E_RNA)
where:
Base-Base interactions energy: -172.343
where: short stacking energy: -59.045
Base-Backbone interact. energy: -0.484
local terms energy: -79.101000
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -18.876
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: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -205.279286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.279286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.279286 (E_RNA)
where:
Base-Base interactions energy: -130.285
where: short stacking energy: -49.497
Base-Backbone interact. energy: -0.199
local terms energy: -74.795256
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -12.690
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: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -205.191199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191199 (E_RNA)
where:
Base-Base interactions energy: -126.634
where: short stacking energy: -60.442
Base-Backbone interact. energy: -0.384
local terms energy: -78.172766
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -182.204704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.204704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.204704 (E_RNA)
where:
Base-Base interactions energy: -110.293
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.214
local terms energy: -71.698375
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -179.529617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.529617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.529617 (E_RNA)
where:
Base-Base interactions energy: -107.258
where: short stacking energy: -54.507
Base-Backbone interact. energy: -0.204
local terms energy: -72.067467
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -14.365
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: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -85.906255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.906255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.906255 (E_RNA)
where:
Base-Base interactions energy: -31.081
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.039
local terms energy: -54.786169
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: 4.642
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: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -85.739896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.739896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.739896 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -14.389
Base-Backbone interact. energy: 1.406
local terms energy: -56.005757
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -96.822524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.822524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.822524 (E_RNA)
where:
Base-Base interactions energy: -44.301
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.900
local terms energy: -51.621064
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -3.879
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -245.481660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.481660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.481660 (E_RNA)
where:
Base-Base interactions energy: -159.288
where: short stacking energy: -71.833
Base-Backbone interact. energy: 0.632
local terms energy: -86.825874
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -242.619262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.619262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.619262 (E_RNA)
where:
Base-Base interactions energy: -164.507
where: short stacking energy: -62.962
Base-Backbone interact. energy: 2.145
local terms energy: -80.258046
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -245.589889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.589889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.589889 (E_RNA)
where:
Base-Base interactions energy: -175.948
where: short stacking energy: -69.563
Base-Backbone interact. energy: -0.050
local terms energy: -69.592166
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -204.001298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.001298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.001298 (E_RNA)
where:
Base-Base interactions energy: -124.585
where: short stacking energy: -68.088
Base-Backbone interact. energy: -0.016
local terms energy: -79.399638
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -20.745
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: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -195.705966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.705966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.705966 (E_RNA)
where:
Base-Base interactions energy: -121.299
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.667
local terms energy: -73.739713
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -18.513
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: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -194.158393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158393 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -58.374
Base-Backbone interact. energy: -1.164
local terms energy: -72.921651
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -14.295
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: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -140.667418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.667418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.667418 (E_RNA)
where:
Base-Base interactions energy: -79.851
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.480
local terms energy: -60.335859
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -3.854
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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -101.298118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.298118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.298118 (E_RNA)
where:
Base-Base interactions energy: -50.349
where: short stacking energy: -30.249
Base-Backbone interact. energy: -0.026
local terms energy: -50.923561
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: 0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -86.011881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.011881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.011881 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -25.830
Base-Backbone interact. energy: 1.771
local terms energy: -61.953163
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -82.029425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.029425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.029425 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -23.817
Base-Backbone interact. energy: -0.482
local terms energy: -41.613761
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -217.894227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.894227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.894227 (E_RNA)
where:
Base-Base interactions energy: -135.350
where: short stacking energy: -69.419
Base-Backbone interact. energy: -0.293
local terms energy: -82.251597
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -246.051488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.051488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.051488 (E_RNA)
where:
Base-Base interactions energy: -159.664
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.576
local terms energy: -85.811584
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -239.678431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.678431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.678431 (E_RNA)
where:
Base-Base interactions energy: -159.214
where: short stacking energy: -59.058
Base-Backbone interact. energy: 0.249
local terms energy: -80.713674
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -222.047213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.047213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.047213 (E_RNA)
where:
Base-Base interactions energy: -142.838
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.234
local terms energy: -78.975618
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -208.657922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.657922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.657922 (E_RNA)
where:
Base-Base interactions energy: -133.782
where: short stacking energy: -65.690
Base-Backbone interact. energy: -0.297
local terms energy: -74.579366
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -18.788
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: 181
Temperature: 1.150000
Total energy: -146.540416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.540416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.540416 (E_RNA)
where:
Base-Base interactions energy: -81.333
where: short stacking energy: -37.372
Base-Backbone interact. energy: -0.782
local terms energy: -64.425465
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -175.922025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.922025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.922025 (E_RNA)
where:
Base-Base interactions energy: -119.844
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.189
local terms energy: -55.888788
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -101.550572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.550572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.550572 (E_RNA)
where:
Base-Base interactions energy: -40.328
where: short stacking energy: -33.485
Base-Backbone interact. energy: -0.367
local terms energy: -60.855682
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -81.419073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.419073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.419073 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.047
local terms energy: -51.314884
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -4.631
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: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -85.413406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.413406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.413406 (E_RNA)
where:
Base-Base interactions energy: -27.908
where: short stacking energy: -16.139
Base-Backbone interact. energy: -0.112
local terms energy: -57.393734
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -0.733
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: 182
Temperature: 0.900000
Total energy: -251.538160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.538160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.538160 (E_RNA)
where:
Base-Base interactions energy: -165.257
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.648
local terms energy: -85.633355
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -222.498878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.498878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.498878 (E_RNA)
where:
Base-Base interactions energy: -138.836
where: short stacking energy: -76.201
Base-Backbone interact. energy: 1.041
local terms energy: -84.704649
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -244.846753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.846753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.846753 (E_RNA)
where:
Base-Base interactions energy: -168.221
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.300
local terms energy: -76.325207
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -224.634525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.634525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.634525 (E_RNA)
where:
Base-Base interactions energy: -139.312
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.128
local terms energy: -85.194073
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -201.541386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.541386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.541386 (E_RNA)
where:
Base-Base interactions energy: -123.400
where: short stacking energy: -63.177
Base-Backbone interact. energy: 0.407
local terms energy: -78.548703
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -8.760
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: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -190.135326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.135326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.135326 (E_RNA)
where:
Base-Base interactions energy: -111.959
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.057
local terms energy: -78.119314
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -11.019
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: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -99.275230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.275230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.275230 (E_RNA)
where:
Base-Base interactions energy: -43.694
where: short stacking energy: -26.854
Base-Backbone interact. energy: -2.133
local terms energy: -53.447840
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -160.497056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.497056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.497056 (E_RNA)
where:
Base-Base interactions energy: -101.332
where: short stacking energy: -48.660
Base-Backbone interact. energy: -0.343
local terms energy: -58.822288
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -103.638951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.638951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.638951 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -23.345
Base-Backbone interact. energy: 0.025
local terms energy: -63.003254
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -77.875369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.875369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.875369 (E_RNA)
where:
Base-Base interactions energy: -17.905
where: short stacking energy: -16.914
Base-Backbone interact. energy: -0.179
local terms energy: -59.791262
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: 1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -254.574566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.574566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.574566 (E_RNA)
where:
Base-Base interactions energy: -170.241
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.273
local terms energy: -84.060792
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -18.849
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: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -248.865775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.865775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.865775 (E_RNA)
where:
Base-Base interactions energy: -167.876
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.376
local terms energy: -80.613648
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -227.739687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.739687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.739687 (E_RNA)
where:
Base-Base interactions energy: -142.717
where: short stacking energy: -75.235
Base-Backbone interact. energy: -0.261
local terms energy: -84.761667
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -22.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -214.703121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.703121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.703121 (E_RNA)
where:
Base-Base interactions energy: -139.472
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.002
local terms energy: -75.229319
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -199.286769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.286769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.286769 (E_RNA)
where:
Base-Base interactions energy: -109.250
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.175
local terms energy: -89.861269
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -180.407173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.407173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.407173 (E_RNA)
where:
Base-Base interactions energy: -110.653
where: short stacking energy: -56.835
Base-Backbone interact. energy: -0.641
local terms energy: -69.113390
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -11.193
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: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -93.301649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301649 (E_RNA)
where:
Base-Base interactions energy: -30.790
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.389
local terms energy: -62.122774
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -11.613
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: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -175.489588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.489588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.489588 (E_RNA)
where:
Base-Base interactions energy: -115.257
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.593
local terms energy: -59.639831
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -97.342644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.342644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.342644 (E_RNA)
where:
Base-Base interactions energy: -44.362
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.011
local terms energy: -52.969658
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -85.952692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.952692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.952692 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -24.166
Base-Backbone interact. energy: -0.685
local terms energy: -51.212473
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -248.255936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.255936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.255936 (E_RNA)
where:
Base-Base interactions energy: -167.906
where: short stacking energy: -55.037
Base-Backbone interact. energy: 0.526
local terms energy: -80.875932
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -245.763994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.763994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.763994 (E_RNA)
where:
Base-Base interactions energy: -168.611
where: short stacking energy: -65.544
Base-Backbone interact. energy: -0.168
local terms energy: -76.985260
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -211.641745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.641745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.641745 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -61.939
Base-Backbone interact. energy: -0.107
local terms energy: -76.736030
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -207.989623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.989623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.989623 (E_RNA)
where:
Base-Base interactions energy: -134.551
where: short stacking energy: -56.242
Base-Backbone interact. energy: -0.535
local terms energy: -72.903455
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -15.538
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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -185.227403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.227403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.227403 (E_RNA)
where:
Base-Base interactions energy: -112.896
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.169
local terms energy: -72.162032
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -180.313561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.313561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.313561 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.335
local terms energy: -69.199903
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -11.878
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: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -153.631800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.631800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.631800 (E_RNA)
where:
Base-Base interactions energy: -90.756
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.799
local terms energy: -62.077030
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -100.362852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.362852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.362852 (E_RNA)
where:
Base-Base interactions energy: -35.804
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.195
local terms energy: -64.364271
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -10.064
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: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -90.321130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.321130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.321130 (E_RNA)
where:
Base-Base interactions energy: -31.164
where: short stacking energy: -30.996
Base-Backbone interact. energy: -0.074
local terms energy: -59.082894
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -92.654371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.654371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.654371 (E_RNA)
where:
Base-Base interactions energy: -33.968
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.045
local terms energy: -58.641406
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -259.261293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.261293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.261293 (E_RNA)
where:
Base-Base interactions energy: -171.919
where: short stacking energy: -76.990
Base-Backbone interact. energy: -0.143
local terms energy: -87.199077
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -228.670260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.670260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.670260 (E_RNA)
where:
Base-Base interactions energy: -149.429
where: short stacking energy: -71.431
Base-Backbone interact. energy: 0.340
local terms energy: -79.581455
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -241.355841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.355841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.355841 (E_RNA)
where:
Base-Base interactions energy: -165.030
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.252
local terms energy: -76.073900
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -189.624560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.624560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.624560 (E_RNA)
where:
Base-Base interactions energy: -115.063
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.050
local terms energy: -74.511164
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -196.928115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.928115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.928115 (E_RNA)
where:
Base-Base interactions energy: -127.901
where: short stacking energy: -59.742
Base-Backbone interact. energy: -0.128
local terms energy: -68.899182
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -180.281234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.281234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.281234 (E_RNA)
where:
Base-Base interactions energy: -109.705
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.588
local terms energy: -69.988277
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -176.145470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.145470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.145470 (E_RNA)
where:
Base-Base interactions energy: -117.062
where: short stacking energy: -45.504
Base-Backbone interact. energy: -0.028
local terms energy: -59.054772
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -97.016054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.016054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.016054 (E_RNA)
where:
Base-Base interactions energy: -39.121
where: short stacking energy: -22.177
Base-Backbone interact. energy: 0.047
local terms energy: -57.941686
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -1.437
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -85.189795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189795 (E_RNA)
where:
Base-Base interactions energy: -31.271
where: short stacking energy: -29.463
Base-Backbone interact. energy: 0.331
local terms energy: -54.249454
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -87.179191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.179191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.179191 (E_RNA)
where:
Base-Base interactions energy: -41.279
where: short stacking energy: -26.280
Base-Backbone interact. energy: 3.312
local terms energy: -49.212235
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: 3.507
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: 186
Temperature: 0.900000
Total energy: -234.814913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.814913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.814913 (E_RNA)
where:
Base-Base interactions energy: -146.133
where: short stacking energy: -77.942
Base-Backbone interact. energy: -0.392
local terms energy: -88.290436
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -252.374810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.374810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.374810 (E_RNA)
where:
Base-Base interactions energy: -164.093
where: short stacking energy: -74.770
Base-Backbone interact. energy: -1.519
local terms energy: -86.763055
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -22.621
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: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -235.685813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.685813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.685813 (E_RNA)
where:
Base-Base interactions energy: -155.517
where: short stacking energy: -72.731
Base-Backbone interact. energy: 3.937
local terms energy: -84.105669
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -18.692
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: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -192.298711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.298711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.298711 (E_RNA)
where:
Base-Base interactions energy: -120.208
where: short stacking energy: -63.954
Base-Backbone interact. energy: 1.210
local terms energy: -73.300995
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -217.422050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422050 (E_RNA)
where:
Base-Base interactions energy: -141.025
where: short stacking energy: -63.272
Base-Backbone interact. energy: -0.079
local terms energy: -76.317426
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -181.579173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.579173 (E_RNA)
where:
Base-Base interactions energy: -108.214
where: short stacking energy: -47.916
Base-Backbone interact. energy: -0.552
local terms energy: -72.813294
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -11.100
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: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -165.229545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.229545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.229545 (E_RNA)
where:
Base-Base interactions energy: -98.535
where: short stacking energy: -43.103
Base-Backbone interact. energy: -0.099
local terms energy: -66.596089
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -95.131103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.131103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.131103 (E_RNA)
where:
Base-Base interactions energy: -42.184
where: short stacking energy: -37.756
Base-Backbone interact. energy: -0.064
local terms energy: -52.882306
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: 2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -88.608869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.608869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.608869 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -21.995
Base-Backbone interact. energy: -0.230
local terms energy: -50.705624
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -87.570354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.570354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.570354 (E_RNA)
where:
Base-Base interactions energy: -29.924
where: short stacking energy: -29.924
Base-Backbone interact. energy: 0.369
local terms energy: -58.014733
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.456
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: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -236.468053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.468053 (E_RNA)
where:
Base-Base interactions energy: -158.029
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.340
local terms energy: -78.099426
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -245.000975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.000975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.000975 (E_RNA)
where:
Base-Base interactions energy: -159.116
where: short stacking energy: -73.578
Base-Backbone interact. energy: -1.324
local terms energy: -84.560707
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -251.488748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.488748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.488748 (E_RNA)
where:
Base-Base interactions energy: -178.972
where: short stacking energy: -63.444
Base-Backbone interact. energy: 1.329
local terms energy: -73.846173
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -19.430
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: 187
Temperature: 1.050000
Total energy: -220.091717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.091717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.091717 (E_RNA)
where:
Base-Base interactions energy: -145.605
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.682
local terms energy: -73.804576
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -200.677071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.677071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.677071 (E_RNA)
where:
Base-Base interactions energy: -129.183
where: short stacking energy: -55.835
Base-Backbone interact. energy: -0.970
local terms energy: -70.523577
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -12.969
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: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -187.213025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.213025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.213025 (E_RNA)
where:
Base-Base interactions energy: -109.484
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.537
local terms energy: -77.191570
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -15.646
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: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -182.778041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.778041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.778041 (E_RNA)
where:
Base-Base interactions energy: -111.703
where: short stacking energy: -50.728
Base-Backbone interact. energy: -0.251
local terms energy: -70.823956
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -104.111242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.111242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.111242 (E_RNA)
where:
Base-Base interactions energy: -51.575
where: short stacking energy: -40.950
Base-Backbone interact. energy: 2.378
local terms energy: -54.913773
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -8.019
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: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -93.801464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.801464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.801464 (E_RNA)
where:
Base-Base interactions energy: -42.910
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.587
local terms energy: -50.304775
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -1.517
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: 187
Temperature: 1.350000
Total energy: -78.446452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.446452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.446452 (E_RNA)
where:
Base-Base interactions energy: -25.346
where: short stacking energy: -24.990
Base-Backbone interact. energy: 1.338
local terms energy: -54.438831
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: 1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -265.937046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.937046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.937046 (E_RNA)
where:
Base-Base interactions energy: -175.647
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.255
local terms energy: -90.034968
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -12.192
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: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -233.083988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.083988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.083988 (E_RNA)
where:
Base-Base interactions energy: -154.381
where: short stacking energy: -64.413
Base-Backbone interact. energy: -0.336
local terms energy: -78.366526
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -219.558066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.558066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.558066 (E_RNA)
where:
Base-Base interactions energy: -136.289
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.014
local terms energy: -83.254328
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -246.181036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.181036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.181036 (E_RNA)
where:
Base-Base interactions energy: -169.254
where: short stacking energy: -68.179
Base-Backbone interact. energy: -0.141
local terms energy: -76.785655
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -199.853707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.853707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.853707 (E_RNA)
where:
Base-Base interactions energy: -124.090
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.024
local terms energy: -75.740058
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -16.283
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: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -184.061154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.061154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.061154 (E_RNA)
where:
Base-Base interactions energy: -113.862
where: short stacking energy: -51.391
Base-Backbone interact. energy: -0.366
local terms energy: -69.832984
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -12.114
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: 188
Temperature: 1.200000
Total energy: -166.818159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.818159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.818159 (E_RNA)
where:
Base-Base interactions energy: -106.931
where: short stacking energy: -50.587
Base-Backbone interact. energy: -0.362
local terms energy: -59.524998
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -101.149020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.149020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.149020 (E_RNA)
where:
Base-Base interactions energy: -54.936
where: short stacking energy: -46.316
Base-Backbone interact. energy: 0.175
local terms energy: -46.387855
where:
bonds (distance) C4'-P energy: -7.716
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -93.718368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.718368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.718368 (E_RNA)
where:
Base-Base interactions energy: -39.127
where: short stacking energy: -39.127
Base-Backbone interact. energy: -2.071
local terms energy: -52.520444
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -92.077202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.077202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.077202 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -30.032
Base-Backbone interact. energy: 0.823
local terms energy: -55.413959
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -3.671
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: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -255.943126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.943126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.943126 (E_RNA)
where:
Base-Base interactions energy: -169.811
where: short stacking energy: -70.466
Base-Backbone interact. energy: -0.278
local terms energy: -85.853979
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -21.139
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: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -225.470516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.470516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.470516 (E_RNA)
where:
Base-Base interactions energy: -149.890
where: short stacking energy: -72.538
Base-Backbone interact. energy: -0.345
local terms energy: -75.235542
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -225.562849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.562849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.562849 (E_RNA)
where:
Base-Base interactions energy: -144.276
where: short stacking energy: -61.400
Base-Backbone interact. energy: 0.893
local terms energy: -82.179798
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -242.392246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.392246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.392246 (E_RNA)
where:
Base-Base interactions energy: -160.789
where: short stacking energy: -61.598
Base-Backbone interact. energy: -1.000
local terms energy: -80.603918
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -192.362623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.362623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.362623 (E_RNA)
where:
Base-Base interactions energy: -120.479
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.048
local terms energy: -71.835804
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -158.696498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.696498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.696498 (E_RNA)
where:
Base-Base interactions energy: -98.661
where: short stacking energy: -43.615
Base-Backbone interact. energy: -1.169
local terms energy: -58.866267
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -2.897
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: 189
Temperature: 1.200000
Total energy: -168.240452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.240452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.240452 (E_RNA)
where:
Base-Base interactions energy: -107.285
where: short stacking energy: -44.627
Base-Backbone interact. energy: 1.273
local terms energy: -62.228232
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -93.092554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.092554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.092554 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.300
local terms energy: -53.134255
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -94.523837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.523837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.523837 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -30.113
Base-Backbone interact. energy: -0.907
local terms energy: -56.198201
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -84.172430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.172430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.172430 (E_RNA)
where:
Base-Base interactions energy: -46.369
where: short stacking energy: -29.270
Base-Backbone interact. energy: -0.971
local terms energy: -36.832624
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -6.154
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -261.099334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.099334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.099334 (E_RNA)
where:
Base-Base interactions energy: -175.382
where: short stacking energy: -71.509
Base-Backbone interact. energy: -0.488
local terms energy: -85.229048
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -228.324806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.324806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.324806 (E_RNA)
where:
Base-Base interactions energy: -150.547
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.135
local terms energy: -77.643268
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -232.311212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.311212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.311212 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -76.990
Base-Backbone interact. energy: -0.007
local terms energy: -79.467442
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -22.852
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: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -233.073082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.073082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.073082 (E_RNA)
where:
Base-Base interactions energy: -168.514
where: short stacking energy: -71.152
Base-Backbone interact. energy: -0.913
local terms energy: -63.645724
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -15.095
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: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -189.718819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.718819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.718819 (E_RNA)
where:
Base-Base interactions energy: -112.330
where: short stacking energy: -48.507
Base-Backbone interact. energy: -0.898
local terms energy: -76.490715
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -10.347
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: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -173.107920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.107920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.107920 (E_RNA)
where:
Base-Base interactions energy: -108.026
where: short stacking energy: -43.404
Base-Backbone interact. energy: -0.224
local terms energy: -64.857988
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -10.575
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: 190
Temperature: 1.200000
Total energy: -100.722315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.722315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.722315 (E_RNA)
where:
Base-Base interactions energy: -43.960
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.061
local terms energy: -56.701437
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: 2.597
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: 190
Temperature: 1.250000
Total energy: -143.537202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.537202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.537202 (E_RNA)
where:
Base-Base interactions energy: -90.551
where: short stacking energy: -34.926
Base-Backbone interact. energy: -0.060
local terms energy: -52.925560
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -90.326617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.326617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.326617 (E_RNA)
where:
Base-Base interactions energy: -37.465
where: short stacking energy: -31.529
Base-Backbone interact. energy: 1.650
local terms energy: -54.512403
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -81.499532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.499532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.499532 (E_RNA)
where:
Base-Base interactions energy: -24.769
where: short stacking energy: -24.606
Base-Backbone interact. energy: -0.683
local terms energy: -56.047993
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -8.081
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: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -262.465068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.465068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.465068 (E_RNA)
where:
Base-Base interactions energy: -173.986
where: short stacking energy: -72.412
Base-Backbone interact. energy: -0.609
local terms energy: -87.870206
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -235.510561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.510561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.510561 (E_RNA)
where:
Base-Base interactions energy: -153.961
where: short stacking energy: -73.911
Base-Backbone interact. energy: -0.020
local terms energy: -81.529957
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -21.025
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: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -214.569122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.569122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.569122 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -73.757
Base-Backbone interact. energy: -0.774
local terms energy: -79.248559
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -19.328
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: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -240.138289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.138289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.138289 (E_RNA)
where:
Base-Base interactions energy: -164.989
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.637
local terms energy: -74.512166
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -193.979014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.979014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.979014 (E_RNA)
where:
Base-Base interactions energy: -124.945
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.076
local terms energy: -68.957546
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -166.288258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.288258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.288258 (E_RNA)
where:
Base-Base interactions energy: -92.721
where: short stacking energy: -53.493
Base-Backbone interact. energy: 0.178
local terms energy: -73.745444
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -107.918015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.918015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.918015 (E_RNA)
where:
Base-Base interactions energy: -37.735
where: short stacking energy: -14.821
Base-Backbone interact. energy: -0.242
local terms energy: -69.941159
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -89.382109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.382109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.382109 (E_RNA)
where:
Base-Base interactions energy: -37.019
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.531
local terms energy: -51.831564
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -117.055177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.055177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.055177 (E_RNA)
where:
Base-Base interactions energy: -65.317
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.338
local terms energy: -51.399701
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -7.119
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: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -74.980918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.980918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.980918 (E_RNA)
where:
Base-Base interactions energy: -21.850
where: short stacking energy: -21.850
Base-Backbone interact. energy: -0.011
local terms energy: -53.119712
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -2.059
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: 192
Temperature: 0.900000
Total energy: -243.213506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.213506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.213506 (E_RNA)
where:
Base-Base interactions energy: -152.634
where: short stacking energy: -66.158
Base-Backbone interact. energy: 0.235
local terms energy: -90.814455
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -21.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -248.656950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.656950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.656950 (E_RNA)
where:
Base-Base interactions energy: -168.252
where: short stacking energy: -69.662
Base-Backbone interact. energy: -0.146
local terms energy: -80.258627
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -246.980857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.980857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.980857 (E_RNA)
where:
Base-Base interactions energy: -167.676
where: short stacking energy: -69.853
Base-Backbone interact. energy: -0.279
local terms energy: -79.025978
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -212.941480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.941480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.941480 (E_RNA)
where:
Base-Base interactions energy: -132.365
where: short stacking energy: -66.916
Base-Backbone interact. energy: -1.055
local terms energy: -79.522083
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -188.473037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.473037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.473037 (E_RNA)
where:
Base-Base interactions energy: -116.367
where: short stacking energy: -46.312
Base-Backbone interact. energy: -0.328
local terms energy: -71.777387
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -195.358696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.358696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.358696 (E_RNA)
where:
Base-Base interactions energy: -123.280
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.007
local terms energy: -72.070728
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -103.019825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.019825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.019825 (E_RNA)
where:
Base-Base interactions energy: -34.998
where: short stacking energy: -34.796
Base-Backbone interact. energy: -0.109
local terms energy: -67.912155
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.291
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: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -93.005704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005704 (E_RNA)
where:
Base-Base interactions energy: -41.006
where: short stacking energy: -32.827
Base-Backbone interact. energy: -1.239
local terms energy: -50.760089
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -98.495491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.495491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.495491 (E_RNA)
where:
Base-Base interactions energy: -42.071
where: short stacking energy: -23.263
Base-Backbone interact. energy: -0.647
local terms energy: -55.776737
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -83.958951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.958951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.958951 (E_RNA)
where:
Base-Base interactions energy: -33.788
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.584
local terms energy: -49.586693
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -10.946
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: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -235.443274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.443274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.443274 (E_RNA)
where:
Base-Base interactions energy: -156.132
where: short stacking energy: -76.228
Base-Backbone interact. energy: -0.325
local terms energy: -78.986117
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -246.010711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.010711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.010711 (E_RNA)
where:
Base-Base interactions energy: -166.676
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.414
local terms energy: -78.920674
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -248.262710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.262710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.262710 (E_RNA)
where:
Base-Base interactions energy: -168.253
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.268
local terms energy: -79.741715
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -215.835832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.835832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.835832 (E_RNA)
where:
Base-Base interactions energy: -145.115
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.434
local terms energy: -70.287172
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -209.572319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.572319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.572319 (E_RNA)
where:
Base-Base interactions energy: -131.052
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.370
local terms energy: -78.150359
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -14.123
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: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -187.175994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.175994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.175994 (E_RNA)
where:
Base-Base interactions energy: -109.654
where: short stacking energy: -55.359
Base-Backbone interact. energy: 0.138
local terms energy: -77.660927
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -11.983
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: 193
Temperature: 1.200000
Total energy: -105.013282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.013282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.013282 (E_RNA)
where:
Base-Base interactions energy: -50.622
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.028
local terms energy: -54.363512
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -93.756723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.756723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.756723 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -23.789
Base-Backbone interact. energy: -0.743
local terms energy: -56.383146
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -6.782
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: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -106.296626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.296626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.296626 (E_RNA)
where:
Base-Base interactions energy: -47.307
where: short stacking energy: -25.199
Base-Backbone interact. energy: -1.047
local terms energy: -57.942992
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -85.745307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.745307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.745307 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -33.659
Base-Backbone interact. energy: 1.289
local terms energy: -52.350629
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -6.631
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: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -250.268854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.268854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.268854 (E_RNA)
where:
Base-Base interactions energy: -168.870
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.084
local terms energy: -81.314894
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -20.035
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: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -232.014421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.014421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.014421 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -74.296
Base-Backbone interact. energy: -0.008
local terms energy: -84.966137
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -246.877626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.877626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.877626 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -68.210
Base-Backbone interact. energy: -0.557
local terms energy: -79.537434
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -204.364798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.364798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.364798 (E_RNA)
where:
Base-Base interactions energy: -130.442
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.588
local terms energy: -73.334292
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -186.349481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.349481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.349481 (E_RNA)
where:
Base-Base interactions energy: -118.901
where: short stacking energy: -50.655
Base-Backbone interact. energy: 0.426
local terms energy: -67.874459
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -13.969
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: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -187.504892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.504892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.504892 (E_RNA)
where:
Base-Base interactions energy: -108.738
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.848
local terms energy: -77.919092
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -103.881499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.881499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.881499 (E_RNA)
where:
Base-Base interactions energy: -58.251
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.608
local terms energy: -45.023151
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -2.230
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -104.388740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.388740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.388740 (E_RNA)
where:
Base-Base interactions energy: -52.084
where: short stacking energy: -36.405
Base-Backbone interact. energy: -0.422
local terms energy: -51.882316
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -2.178
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -88.144236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.144236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.144236 (E_RNA)
where:
Base-Base interactions energy: -35.939
where: short stacking energy: -20.870
Base-Backbone interact. energy: 1.194
local terms energy: -53.398554
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -85.481103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.481103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.481103 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.171
local terms energy: -45.560955
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -7.117
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: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -250.520108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.520108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.520108 (E_RNA)
where:
Base-Base interactions energy: -168.821
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.461
local terms energy: -81.238622
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -226.406319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.406319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.406319 (E_RNA)
where:
Base-Base interactions energy: -136.729
where: short stacking energy: -69.730
Base-Backbone interact. energy: -0.031
local terms energy: -89.646701
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -24.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -252.592598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.592598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.592598 (E_RNA)
where:
Base-Base interactions energy: -177.901
where: short stacking energy: -70.658
Base-Backbone interact. energy: 0.926
local terms energy: -75.617349
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -205.833008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.833008 (E_RNA)
where:
Base-Base interactions energy: -131.095
where: short stacking energy: -64.918
Base-Backbone interact. energy: -0.550
local terms energy: -74.188329
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -202.921097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.921097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.921097 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -57.198
Base-Backbone interact. energy: -0.137
local terms energy: -70.149100
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -202.094509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.094509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.094509 (E_RNA)
where:
Base-Base interactions energy: -116.898
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.296
local terms energy: -84.900005
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -106.056409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.056409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.056409 (E_RNA)
where:
Base-Base interactions energy: -47.680
where: short stacking energy: -36.659
Base-Backbone interact. energy: -0.201
local terms energy: -58.175365
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -92.366580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.366580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.366580 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -18.488
Base-Backbone interact. energy: -0.205
local terms energy: -53.677480
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -88.610466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.610466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.610466 (E_RNA)
where:
Base-Base interactions energy: -36.326
where: short stacking energy: -22.668
Base-Backbone interact. energy: -0.223
local terms energy: -52.061512
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -76.681396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.681396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.681396 (E_RNA)
where:
Base-Base interactions energy: -26.752
where: short stacking energy: -25.728
Base-Backbone interact. energy: 0.115
local terms energy: -50.044158
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: 0.783
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: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -262.198693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.198693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.198693 (E_RNA)
where:
Base-Base interactions energy: -177.279
where: short stacking energy: -66.740
Base-Backbone interact. energy: -0.135
local terms energy: -84.784603
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -231.971970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.971970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.971970 (E_RNA)
where:
Base-Base interactions energy: -160.754
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.431
local terms energy: -70.787175
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -221.075534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075534 (E_RNA)
where:
Base-Base interactions energy: -140.758
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.447
local terms energy: -79.870882
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -15.036
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: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -243.868954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.868954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.868954 (E_RNA)
where:
Base-Base interactions energy: -165.544
where: short stacking energy: -59.191
Base-Backbone interact. energy: 0.583
local terms energy: -78.908051
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -16.058
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: 196
Temperature: 1.100000
Total energy: -205.425238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.425238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.425238 (E_RNA)
where:
Base-Base interactions energy: -124.273
where: short stacking energy: -56.769
Base-Backbone interact. energy: -0.291
local terms energy: -80.861121
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -210.620984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.620984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.620984 (E_RNA)
where:
Base-Base interactions energy: -132.845
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.003
local terms energy: -77.773369
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -108.332792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.332792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.332792 (E_RNA)
where:
Base-Base interactions energy: -47.709
where: short stacking energy: -30.077
Base-Backbone interact. energy: -0.184
local terms energy: -60.439331
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -99.855369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.855369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.855369 (E_RNA)
where:
Base-Base interactions energy: -50.315
where: short stacking energy: -34.290
Base-Backbone interact. energy: -1.223
local terms energy: -48.317011
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -84.833856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.833856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.833856 (E_RNA)
where:
Base-Base interactions energy: -29.023
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.088
local terms energy: -55.722586
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -88.521842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.521842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.521842 (E_RNA)
where:
Base-Base interactions energy: -29.493
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.356
local terms energy: -58.673297
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -1.259
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -255.466745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.466745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.466745 (E_RNA)
where:
Base-Base interactions energy: -174.513
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.605
local terms energy: -80.348793
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -231.118357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.118357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.118357 (E_RNA)
where:
Base-Base interactions energy: -150.371
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.146
local terms energy: -80.601976
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -232.456264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.456264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.456264 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -75.569
Base-Backbone interact. energy: -0.237
local terms energy: -86.896641
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -235.500771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.500771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.500771 (E_RNA)
where:
Base-Base interactions energy: -163.921
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.433
local terms energy: -71.147140
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -18.902
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: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -170.348272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.348272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.348272 (E_RNA)
where:
Base-Base interactions energy: -105.266
where: short stacking energy: -43.650
Base-Backbone interact. energy: -0.433
local terms energy: -64.649011
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -10.315
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: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -175.419794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.419794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.419794 (E_RNA)
where:
Base-Base interactions energy: -101.827
where: short stacking energy: -50.456
Base-Backbone interact. energy: -1.008
local terms energy: -72.585194
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -8.507
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: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -95.657458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657458 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -32.710
Base-Backbone interact. energy: 0.097
local terms energy: -63.044471
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -98.546708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.546708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.546708 (E_RNA)
where:
Base-Base interactions energy: -30.915
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.028
local terms energy: -67.603554
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -9.065
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: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -92.729087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.729087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.729087 (E_RNA)
where:
Base-Base interactions energy: -29.606
where: short stacking energy: -26.347
Base-Backbone interact. energy: -0.193
local terms energy: -62.930970
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -77.876677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.876677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.876677 (E_RNA)
where:
Base-Base interactions energy: -19.232
where: short stacking energy: -18.527
Base-Backbone interact. energy: -1.671
local terms energy: -56.973318
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: 3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -239.391948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.391948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.391948 (E_RNA)
where:
Base-Base interactions energy: -152.143
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.048
local terms energy: -87.201044
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -256.440473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.440473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.440473 (E_RNA)
where:
Base-Base interactions energy: -172.717
where: short stacking energy: -80.758
Base-Backbone interact. energy: -0.454
local terms energy: -83.268750
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -244.460042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.460042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.460042 (E_RNA)
where:
Base-Base interactions energy: -161.039
where: short stacking energy: -62.139
Base-Backbone interact. energy: -0.370
local terms energy: -83.050753
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -224.580594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.580594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.580594 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -62.489
Base-Backbone interact. energy: -1.283
local terms energy: -76.256884
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -217.328019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.328019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.328019 (E_RNA)
where:
Base-Base interactions energy: -137.351
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.398
local terms energy: -79.579154
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -175.079591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.079591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.079591 (E_RNA)
where:
Base-Base interactions energy: -109.048
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.149
local terms energy: -65.882531
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -89.575240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.575240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.575240 (E_RNA)
where:
Base-Base interactions energy: -39.371
where: short stacking energy: -38.732
Base-Backbone interact. energy: -0.058
local terms energy: -50.146419
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -2.085
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: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -86.571885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.571885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.571885 (E_RNA)
where:
Base-Base interactions energy: -42.292
where: short stacking energy: -24.402
Base-Backbone interact. energy: 3.079
local terms energy: -47.359051
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: 3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -87.911596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.911596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.911596 (E_RNA)
where:
Base-Base interactions energy: -24.390
where: short stacking energy: -23.664
Base-Backbone interact. energy: -1.455
local terms energy: -62.066634
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -83.500595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.500595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.500595 (E_RNA)
where:
Base-Base interactions energy: -24.879
where: short stacking energy: -24.879
Base-Backbone interact. energy: -0.326
local terms energy: -58.295076
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -232.734579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.734579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.734579 (E_RNA)
where:
Base-Base interactions energy: -147.309
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.137
local terms energy: -85.288932
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -261.075100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.075100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.075100 (E_RNA)
where:
Base-Base interactions energy: -180.851
where: short stacking energy: -77.028
Base-Backbone interact. energy: -0.573
local terms energy: -79.650567
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -8.620
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: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -245.119872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.119872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.119872 (E_RNA)
where:
Base-Base interactions energy: -162.111
where: short stacking energy: -71.597
Base-Backbone interact. energy: -0.149
local terms energy: -82.859986
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -205.497091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.497091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.497091 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -64.150
Base-Backbone interact. energy: -0.172
local terms energy: -74.472421
where:
bonds (distance) C4'-P energy: -8.071
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -197.634409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.634409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.634409 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -57.370
Base-Backbone interact. energy: 0.866
local terms energy: -71.850259
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -163.414140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.414140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.414140 (E_RNA)
where:
Base-Base interactions energy: -93.002
where: short stacking energy: -40.697
Base-Backbone interact. energy: -0.017
local terms energy: -70.395088
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -95.130439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.130439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.130439 (E_RNA)
where:
Base-Base interactions energy: -38.897
where: short stacking energy: -33.900
Base-Backbone interact. energy: -0.117
local terms energy: -56.116209
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -5.042
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: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -105.938671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.938671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.938671 (E_RNA)
where:
Base-Base interactions energy: -44.829
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.111
local terms energy: -60.998846
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -3.353
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: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -93.012097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.012097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.012097 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -30.219
Base-Backbone interact. energy: -0.123
local terms energy: -61.738196
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -80.439116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.439116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.439116 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -26.909
Base-Backbone interact. energy: 0.403
local terms energy: -51.931779
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -244.429713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.429713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.429713 (E_RNA)
where:
Base-Base interactions energy: -162.271
where: short stacking energy: -72.300
Base-Backbone interact. energy: -0.187
local terms energy: -81.971930
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -232.751163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.751163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.751163 (E_RNA)
where:
Base-Base interactions energy: -144.066
where: short stacking energy: -71.773
Base-Backbone interact. energy: -0.155
local terms energy: -88.530405
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -21.730
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: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -205.531835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.531835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.531835 (E_RNA)
where:
Base-Base interactions energy: -125.906
where: short stacking energy: -70.883
Base-Backbone interact. energy: -0.146
local terms energy: -79.479714
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -237.175971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.175971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.175971 (E_RNA)
where:
Base-Base interactions energy: -156.381
where: short stacking energy: -66.205
Base-Backbone interact. energy: -0.005
local terms energy: -80.790331
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -202.414900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.414900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.414900 (E_RNA)
where:
Base-Base interactions energy: -136.163
where: short stacking energy: -57.565
Base-Backbone interact. energy: 0.525
local terms energy: -66.777142
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -13.293
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -151.942196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.942196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.942196 (E_RNA)
where:
Base-Base interactions energy: -94.447
where: short stacking energy: -45.292
Base-Backbone interact. energy: 0.036
local terms energy: -57.531072
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -6.248
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: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -112.694597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.694597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.694597 (E_RNA)
where:
Base-Base interactions energy: -48.287
where: short stacking energy: -22.830
Base-Backbone interact. energy: 0.335
local terms energy: -64.743038
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -94.277816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.277816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.277816 (E_RNA)
where:
Base-Base interactions energy: -36.299
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.152
local terms energy: -57.827396
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -93.755073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.755073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.755073 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -27.158
Base-Backbone interact. energy: -1.383
local terms energy: -57.677620
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -90.690152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690152 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -28.778
Base-Backbone interact. energy: 0.026
local terms energy: -61.501012
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -2.257
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: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -253.070755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.070755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.070755 (E_RNA)
where:
Base-Base interactions energy: -165.893
where: short stacking energy: -63.494
Base-Backbone interact. energy: -0.272
local terms energy: -86.906363
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -227.746861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.746861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.746861 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -75.748
Base-Backbone interact. energy: -0.018
local terms energy: -83.844256
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -196.263865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.263865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.263865 (E_RNA)
where:
Base-Base interactions energy: -119.392
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.076
local terms energy: -76.796584
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -247.535310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.535310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.535310 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -72.134
Base-Backbone interact. energy: -1.474
local terms energy: -88.702299
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -185.138216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.138216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.138216 (E_RNA)
where:
Base-Base interactions energy: -123.055
where: short stacking energy: -48.401
Base-Backbone interact. energy: 0.052
local terms energy: -62.135651
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -12.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -169.495851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.495851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.495851 (E_RNA)
where:
Base-Base interactions energy: -106.059
where: short stacking energy: -42.290
Base-Backbone interact. energy: 0.286
local terms energy: -63.722416
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -8.554
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: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -104.223139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.223139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.223139 (E_RNA)
where:
Base-Base interactions energy: -45.439
where: short stacking energy: -42.788
Base-Backbone interact. energy: 0.326
local terms energy: -59.110099
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -81.096951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.096951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.096951 (E_RNA)
where:
Base-Base interactions energy: -18.394
where: short stacking energy: -18.994
Base-Backbone interact. energy: -0.093
local terms energy: -62.610735
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -91.667529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.667529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.667529 (E_RNA)
where:
Base-Base interactions energy: -29.254
where: short stacking energy: -22.372
Base-Backbone interact. energy: -0.103
local terms energy: -62.310447
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -0.643
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: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -75.092437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.092437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.092437 (E_RNA)
where:
Base-Base interactions energy: -26.732
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.271
local terms energy: -48.090043
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: 0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -240.643140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.643140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.643140 (E_RNA)
where:
Base-Base interactions energy: -157.952
where: short stacking energy: -67.237
Base-Backbone interact. energy: -0.580
local terms energy: -82.111335
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -244.898534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.898534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.898534 (E_RNA)
where:
Base-Base interactions energy: -168.538
where: short stacking energy: -73.832
Base-Backbone interact. energy: -0.104
local terms energy: -76.256843
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -243.382493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.382493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.382493 (E_RNA)
where:
Base-Base interactions energy: -158.820
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.904
local terms energy: -83.657996
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -209.946212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.946212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.946212 (E_RNA)
where:
Base-Base interactions energy: -130.128
where: short stacking energy: -59.720
Base-Backbone interact. energy: -0.968
local terms energy: -78.850244
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -192.918541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.918541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.918541 (E_RNA)
where:
Base-Base interactions energy: -113.878
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.447
local terms energy: -78.593869
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -191.838958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.838958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.838958 (E_RNA)
where:
Base-Base interactions energy: -122.431
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.248
local terms energy: -69.159265
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -116.497276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.497276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.497276 (E_RNA)
where:
Base-Base interactions energy: -59.609
where: short stacking energy: -32.841
Base-Backbone interact. energy: -0.158
local terms energy: -56.730839
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -2.959
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: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -88.197366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197366 (E_RNA)
where:
Base-Base interactions energy: -24.579
where: short stacking energy: -20.840
Base-Backbone interact. energy: -0.098
local terms energy: -63.520640
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -79.356963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.356963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.356963 (E_RNA)
where:
Base-Base interactions energy: -30.487
where: short stacking energy: -25.465
Base-Backbone interact. energy: 0.033
local terms energy: -48.902174
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -80.508390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508390 (E_RNA)
where:
Base-Base interactions energy: -26.500
where: short stacking energy: -18.601
Base-Backbone interact. energy: 0.094
local terms energy: -54.102356
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: 1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -233.859231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.859231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.859231 (E_RNA)
where:
Base-Base interactions energy: -145.825
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.038
local terms energy: -87.996919
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -23.859
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: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -254.274085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.274085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.274085 (E_RNA)
where:
Base-Base interactions energy: -182.945
where: short stacking energy: -73.002
Base-Backbone interact. energy: 0.245
local terms energy: -71.574233
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -19.599
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: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -245.424643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.424643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.424643 (E_RNA)
where:
Base-Base interactions energy: -168.307
where: short stacking energy: -54.415
Base-Backbone interact. energy: -0.660
local terms energy: -76.457923
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -14.156
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: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -207.012930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.012930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.012930 (E_RNA)
where:
Base-Base interactions energy: -127.173
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.606
local terms energy: -79.233603
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -212.867677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.867677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.867677 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -62.533
Base-Backbone interact. energy: -0.410
local terms energy: -72.290072
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -192.349737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.349737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.349737 (E_RNA)
where:
Base-Base interactions energy: -125.095
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.003
local terms energy: -67.251808
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -92.430213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.430213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.430213 (E_RNA)
where:
Base-Base interactions energy: -38.602
where: short stacking energy: -26.432
Base-Backbone interact. energy: -0.188
local terms energy: -53.639354
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -1.400
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: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -92.963315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.963315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.963315 (E_RNA)
where:
Base-Base interactions energy: -45.519
where: short stacking energy: -33.966
Base-Backbone interact. energy: -0.335
local terms energy: -47.108856
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -1.186
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: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -98.124310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.124310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.124310 (E_RNA)
where:
Base-Base interactions energy: -44.660
where: short stacking energy: -22.289
Base-Backbone interact. energy: -0.308
local terms energy: -53.156209
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -89.217295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.217295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.217295 (E_RNA)
where:
Base-Base interactions energy: -29.146
where: short stacking energy: -22.771
Base-Backbone interact. energy: 0.016
local terms energy: -60.087702
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -2.769
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: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -264.020306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.020306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.020306 (E_RNA)
where:
Base-Base interactions energy: -177.892
where: short stacking energy: -69.525
Base-Backbone interact. energy: -0.424
local terms energy: -85.703649
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -244.058861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.058861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.058861 (E_RNA)
where:
Base-Base interactions energy: -159.689
where: short stacking energy: -71.780
Base-Backbone interact. energy: -1.048
local terms energy: -83.321876
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -240.592200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.592200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.592200 (E_RNA)
where:
Base-Base interactions energy: -160.211
where: short stacking energy: -66.592
Base-Backbone interact. energy: -0.965
local terms energy: -79.416331
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -211.205737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.205737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.205737 (E_RNA)
where:
Base-Base interactions energy: -132.025
where: short stacking energy: -66.404
Base-Backbone interact. energy: -0.045
local terms energy: -79.135665
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -16.297
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: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -208.301023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.301023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.301023 (E_RNA)
where:
Base-Base interactions energy: -121.455
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.773
local terms energy: -86.073873
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -178.377006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377006 (E_RNA)
where:
Base-Base interactions energy: -107.767
where: short stacking energy: -54.219
Base-Backbone interact. energy: 0.658
local terms energy: -71.267817
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -89.984438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.984438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.984438 (E_RNA)
where:
Base-Base interactions energy: -32.849
where: short stacking energy: -25.059
Base-Backbone interact. energy: 2.175
local terms energy: -59.309907
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -108.584990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.584990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.584990 (E_RNA)
where:
Base-Base interactions energy: -48.063
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.125
local terms energy: -60.397105
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -89.501389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.501389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.501389 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -30.306
Base-Backbone interact. energy: -0.618
local terms energy: -53.054581
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -91.375291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.375291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.375291 (E_RNA)
where:
Base-Base interactions energy: -34.490
where: short stacking energy: -33.790
Base-Backbone interact. energy: -0.233
local terms energy: -56.652936
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -7.080
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -253.234643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.234643 (E_RNA)
where:
Base-Base interactions energy: -176.750
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.166
local terms energy: -76.318083
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -19.172
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: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -260.173178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.173178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.173178 (E_RNA)
where:
Base-Base interactions energy: -172.881
where: short stacking energy: -71.728
Base-Backbone interact. energy: -2.135
local terms energy: -85.157217
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -228.288706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.288706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.288706 (E_RNA)
where:
Base-Base interactions energy: -146.486
where: short stacking energy: -66.275
Base-Backbone interact. energy: -0.850
local terms energy: -80.952935
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -25.326
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: 205
Temperature: 1.050000
Total energy: -210.212907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212907 (E_RNA)
where:
Base-Base interactions energy: -134.914
where: short stacking energy: -62.558
Base-Backbone interact. energy: -0.072
local terms energy: -75.227232
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -11.094
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: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -183.474229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.474229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.474229 (E_RNA)
where:
Base-Base interactions energy: -104.263
where: short stacking energy: -53.071
Base-Backbone interact. energy: -0.463
local terms energy: -78.747951
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -12.228
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: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -191.530984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.530984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.530984 (E_RNA)
where:
Base-Base interactions energy: -115.985
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.002
local terms energy: -75.544053
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -18.555
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: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -110.681922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.681922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.681922 (E_RNA)
where:
Base-Base interactions energy: -52.811
where: short stacking energy: -33.070
Base-Backbone interact. energy: -0.041
local terms energy: -57.829217
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -4.345
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -96.120158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.120158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.120158 (E_RNA)
where:
Base-Base interactions energy: -35.446
where: short stacking energy: -34.622
Base-Backbone interact. energy: -0.181
local terms energy: -60.493094
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -77.714095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.714095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.714095 (E_RNA)
where:
Base-Base interactions energy: -21.667
where: short stacking energy: -21.667
Base-Backbone interact. energy: -0.090
local terms energy: -55.956985
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -7.542
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: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -91.185740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.185740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.185740 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -21.911
Base-Backbone interact. energy: -0.245
local terms energy: -52.715140
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: 1.431
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -257.644272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.644272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.644272 (E_RNA)
where:
Base-Base interactions energy: -175.228
where: short stacking energy: -66.223
Base-Backbone interact. energy: 0.080
local terms energy: -82.496767
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -247.965779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.965779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.965779 (E_RNA)
where:
Base-Base interactions energy: -167.258
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.651
local terms energy: -80.057291
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -216.135686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.135686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.135686 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -62.512
Base-Backbone interact. energy: -0.339
local terms energy: -69.137034
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -212.268779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.268779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.268779 (E_RNA)
where:
Base-Base interactions energy: -131.292
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.008
local terms energy: -80.969571
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -192.714430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.714430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.714430 (E_RNA)
where:
Base-Base interactions energy: -114.994
where: short stacking energy: -57.931
Base-Backbone interact. energy: 0.107
local terms energy: -77.827610
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -171.921295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.921295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.921295 (E_RNA)
where:
Base-Base interactions energy: -110.275
where: short stacking energy: -55.804
Base-Backbone interact. energy: 0.671
local terms energy: -62.316795
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -10.153
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -92.865111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.865111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.865111 (E_RNA)
where:
Base-Base interactions energy: -33.569
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.324
local terms energy: -58.972030
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -106.989919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.989919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.989919 (E_RNA)
where:
Base-Base interactions energy: -50.405
where: short stacking energy: -26.528
Base-Backbone interact. energy: -0.996
local terms energy: -55.589246
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -98.229252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.229252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.229252 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -19.734
Base-Backbone interact. energy: 0.404
local terms energy: -64.865313
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -86.595590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.595590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.595590 (E_RNA)
where:
Base-Base interactions energy: -26.709
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.054
local terms energy: -59.833291
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -250.516947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.516947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.516947 (E_RNA)
where:
Base-Base interactions energy: -172.879
where: short stacking energy: -75.984
Base-Backbone interact. energy: -0.341
local terms energy: -77.296716
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -256.422055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.422055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.422055 (E_RNA)
where:
Base-Base interactions energy: -172.836
where: short stacking energy: -65.750
Base-Backbone interact. energy: -0.367
local terms energy: -83.218437
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -23.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -224.541871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.541871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.541871 (E_RNA)
where:
Base-Base interactions energy: -146.700
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.014
local terms energy: -77.828500
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -191.956222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.956222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.956222 (E_RNA)
where:
Base-Base interactions energy: -126.763
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.133
local terms energy: -65.059762
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -201.125476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.125476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.125476 (E_RNA)
where:
Base-Base interactions energy: -132.036
where: short stacking energy: -49.184
Base-Backbone interact. energy: -0.035
local terms energy: -69.055100
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -106.120872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.120872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.120872 (E_RNA)
where:
Base-Base interactions energy: -43.388
where: short stacking energy: -33.210
Base-Backbone interact. energy: -0.322
local terms energy: -62.411124
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -157.396986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.396986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.396986 (E_RNA)
where:
Base-Base interactions energy: -91.440
where: short stacking energy: -38.895
Base-Backbone interact. energy: -1.663
local terms energy: -64.294320
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -114.900933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.900933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.900933 (E_RNA)
where:
Base-Base interactions energy: -55.163
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.201
local terms energy: -59.536434
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -8.421
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -82.582437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582437 (E_RNA)
where:
Base-Base interactions energy: -29.614
where: short stacking energy: -13.084
Base-Backbone interact. energy: 0.232
local terms energy: -53.199860
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: 2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -74.248321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.248321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.248321 (E_RNA)
where:
Base-Base interactions energy: -19.508
where: short stacking energy: -18.519
Base-Backbone interact. energy: -0.430
local terms energy: -54.310019
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -257.416507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.416507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.416507 (E_RNA)
where:
Base-Base interactions energy: -177.401
where: short stacking energy: -80.170
Base-Backbone interact. energy: -0.300
local terms energy: -79.715047
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -249.454020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.454020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.454020 (E_RNA)
where:
Base-Base interactions energy: -162.408
where: short stacking energy: -69.257
Base-Backbone interact. energy: -1.791
local terms energy: -85.255055
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -208.987450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.987450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.987450 (E_RNA)
where:
Base-Base interactions energy: -127.743
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.194
local terms energy: -81.050996
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -198.283197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.283197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.283197 (E_RNA)
where:
Base-Base interactions energy: -120.179
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.359
local terms energy: -77.745588
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -12.128
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: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -181.401968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.401968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.401968 (E_RNA)
where:
Base-Base interactions energy: -120.451
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.060
local terms energy: -60.890432
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -100.478279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.478279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.478279 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -39.815
Base-Backbone interact. energy: -1.170
local terms energy: -58.311102
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -5.749
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: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -169.276370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.276370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.276370 (E_RNA)
where:
Base-Base interactions energy: -101.755
where: short stacking energy: -48.913
Base-Backbone interact. energy: 1.974
local terms energy: -69.495724
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -105.147700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.147700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.147700 (E_RNA)
where:
Base-Base interactions energy: -39.587
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.215
local terms energy: -65.346297
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -93.027003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.027003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.027003 (E_RNA)
where:
Base-Base interactions energy: -40.692
where: short stacking energy: -27.872
Base-Backbone interact. energy: -0.007
local terms energy: -52.327970
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -80.149264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.149264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.149264 (E_RNA)
where:
Base-Base interactions energy: -33.306
where: short stacking energy: -21.209
Base-Backbone interact. energy: -0.550
local terms energy: -46.293398
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: 1.952
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: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -259.409238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.409238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.409238 (E_RNA)
where:
Base-Base interactions energy: -176.706
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.374
local terms energy: -82.329335
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -7.728
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: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -244.788745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.788745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.788745 (E_RNA)
where:
Base-Base interactions energy: -169.022
where: short stacking energy: -56.836
Base-Backbone interact. energy: 0.164
local terms energy: -75.930936
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -15.831
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: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -223.172684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.172684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.172684 (E_RNA)
where:
Base-Base interactions energy: -152.627
where: short stacking energy: -68.687
Base-Backbone interact. energy: -1.085
local terms energy: -69.460282
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -185.392428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.392428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.392428 (E_RNA)
where:
Base-Base interactions energy: -117.075
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.312
local terms energy: -68.005110
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -10.907
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: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -215.751621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.751621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.751621 (E_RNA)
where:
Base-Base interactions energy: -140.042
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.666
local terms energy: -75.043618
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -181.060496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.060496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.060496 (E_RNA)
where:
Base-Base interactions energy: -112.981
where: short stacking energy: -58.860
Base-Backbone interact. energy: 0.137
local terms energy: -68.216034
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -98.381956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.381956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.381956 (E_RNA)
where:
Base-Base interactions energy: -40.007
where: short stacking energy: -16.424
Base-Backbone interact. energy: 0.178
local terms energy: -58.552764
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -93.146238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.146238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.146238 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -18.723
Base-Backbone interact. energy: -0.213
local terms energy: -57.013496
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.243
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: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -82.957578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.957578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.957578 (E_RNA)
where:
Base-Base interactions energy: -22.410
where: short stacking energy: -22.410
Base-Backbone interact. energy: -0.064
local terms energy: -60.483547
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -78.653647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.653647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.653647 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -23.302
Base-Backbone interact. energy: 2.073
local terms energy: -52.903614
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -7.899
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: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -260.250631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.250631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.250631 (E_RNA)
where:
Base-Base interactions energy: -174.187
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.118
local terms energy: -85.945434
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -254.221649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.221649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.221649 (E_RNA)
where:
Base-Base interactions energy: -177.344
where: short stacking energy: -75.701
Base-Backbone interact. energy: -0.378
local terms energy: -76.499390
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -236.741878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.741878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.741878 (E_RNA)
where:
Base-Base interactions energy: -160.201
where: short stacking energy: -65.664
Base-Backbone interact. energy: -0.286
local terms energy: -76.255449
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -16.503
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: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -174.672688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.672688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.672688 (E_RNA)
where:
Base-Base interactions energy: -111.745
where: short stacking energy: -45.717
Base-Backbone interact. energy: -0.285
local terms energy: -62.642642
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -186.209137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.209137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.209137 (E_RNA)
where:
Base-Base interactions energy: -126.939
where: short stacking energy: -58.287
Base-Backbone interact. energy: -0.246
local terms energy: -59.024013
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -10.900
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: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -196.643928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.643928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.643928 (E_RNA)
where:
Base-Base interactions energy: -116.208
where: short stacking energy: -57.635
Base-Backbone interact. energy: 0.868
local terms energy: -81.303931
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -18.308
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: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -90.206330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.206330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.206330 (E_RNA)
where:
Base-Base interactions energy: -40.811
where: short stacking energy: -32.014
Base-Backbone interact. energy: -0.114
local terms energy: -49.281017
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -4.271
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: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -91.550814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.550814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.550814 (E_RNA)
where:
Base-Base interactions energy: -48.409
where: short stacking energy: -35.616
Base-Backbone interact. energy: -1.023
local terms energy: -42.118745
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: 0.665
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: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -82.515963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515963 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -20.442
Base-Backbone interact. energy: 0.086
local terms energy: -47.723790
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -81.935747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.935747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.935747 (E_RNA)
where:
Base-Base interactions energy: -28.346
where: short stacking energy: -21.983
Base-Backbone interact. energy: -0.239
local terms energy: -53.351391
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: 3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -250.846403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.846403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.846403 (E_RNA)
where:
Base-Base interactions energy: -168.697
where: short stacking energy: -64.759
Base-Backbone interact. energy: 0.032
local terms energy: -82.181382
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -254.844682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.844682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.844682 (E_RNA)
where:
Base-Base interactions energy: -170.725
where: short stacking energy: -65.179
Base-Backbone interact. energy: -0.359
local terms energy: -83.761108
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -231.551429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.551429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.551429 (E_RNA)
where:
Base-Base interactions energy: -146.126
where: short stacking energy: -78.453
Base-Backbone interact. energy: -0.053
local terms energy: -85.372145
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -23.839
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: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -196.123252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.123252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.123252 (E_RNA)
where:
Base-Base interactions energy: -119.054
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.186
local terms energy: -76.882962
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -185.603655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.603655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.603655 (E_RNA)
where:
Base-Base interactions energy: -115.727
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.066
local terms energy: -69.810389
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -168.084517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.084517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.084517 (E_RNA)
where:
Base-Base interactions energy: -100.065
where: short stacking energy: -41.805
Base-Backbone interact. energy: 0.913
local terms energy: -68.932342
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -9.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -105.457803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.457803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.457803 (E_RNA)
where:
Base-Base interactions energy: -53.010
where: short stacking energy: -36.365
Base-Backbone interact. energy: -0.087
local terms energy: -52.360651
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -92.420933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.420933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.420933 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -16.733
Base-Backbone interact. energy: -0.137
local terms energy: -56.575372
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -96.663911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.663911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.663911 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -28.443
Base-Backbone interact. energy: -0.226
local terms energy: -64.093791
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -87.278928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.278928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.278928 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.800
local terms energy: -51.817504
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -13.152
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: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -256.796670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.796670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.796670 (E_RNA)
where:
Base-Base interactions energy: -171.301
where: short stacking energy: -76.257
Base-Backbone interact. energy: 0.176
local terms energy: -85.671737
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -12.830
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: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -248.053514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.053514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.053514 (E_RNA)
where:
Base-Base interactions energy: -164.321
where: short stacking energy: -70.016
Base-Backbone interact. energy: -0.491
local terms energy: -83.241284
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -19.275
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: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -218.207951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.207951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.207951 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -66.767
Base-Backbone interact. energy: 0.944
local terms energy: -79.626854
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -16.217
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -216.904076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.904076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.904076 (E_RNA)
where:
Base-Base interactions energy: -132.779
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.495
local terms energy: -83.630462
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -165.075235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.075235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.075235 (E_RNA)
where:
Base-Base interactions energy: -96.522
where: short stacking energy: -41.862
Base-Backbone interact. energy: 1.847
local terms energy: -70.400211
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -189.796442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.796442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.796442 (E_RNA)
where:
Base-Base interactions energy: -122.307
where: short stacking energy: -47.631
Base-Backbone interact. energy: -0.202
local terms energy: -67.287590
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -100.348452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.348452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.348452 (E_RNA)
where:
Base-Base interactions energy: -54.139
where: short stacking energy: -39.749
Base-Backbone interact. energy: -0.764
local terms energy: -45.445055
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -102.115068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.115068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.115068 (E_RNA)
where:
Base-Base interactions energy: -46.014
where: short stacking energy: -34.219
Base-Backbone interact. energy: -0.179
local terms energy: -55.922643
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -3.966
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: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -89.091546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.091546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.091546 (E_RNA)
where:
Base-Base interactions energy: -43.629
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.080
local terms energy: -45.383039
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -83.564292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564292 (E_RNA)
where:
Base-Base interactions energy: -26.196
where: short stacking energy: -15.854
Base-Backbone interact. energy: -0.136
local terms energy: -57.232961
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -259.447236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.447236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.447236 (E_RNA)
where:
Base-Base interactions energy: -175.177
where: short stacking energy: -77.340
Base-Backbone interact. energy: -0.463
local terms energy: -83.807962
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -19.021
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: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -247.483099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.483099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.483099 (E_RNA)
where:
Base-Base interactions energy: -168.625
where: short stacking energy: -70.976
Base-Backbone interact. energy: -0.133
local terms energy: -78.724489
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -220.841699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.841699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.841699 (E_RNA)
where:
Base-Base interactions energy: -135.922
where: short stacking energy: -69.187
Base-Backbone interact. energy: -0.932
local terms energy: -83.987807
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -219.098165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.098165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.098165 (E_RNA)
where:
Base-Base interactions energy: -140.177
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.017
local terms energy: -78.904666
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -170.636270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.636270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.636270 (E_RNA)
where:
Base-Base interactions energy: -98.651
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.843
local terms energy: -71.142133
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -179.399978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.399978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.399978 (E_RNA)
where:
Base-Base interactions energy: -114.734
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.114
local terms energy: -64.551717
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -111.081191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.081191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.081191 (E_RNA)
where:
Base-Base interactions energy: -60.129
where: short stacking energy: -39.345
Base-Backbone interact. energy: 0.900
local terms energy: -51.851973
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -93.343567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.343567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.343567 (E_RNA)
where:
Base-Base interactions energy: -34.179
where: short stacking energy: -24.922
Base-Backbone interact. energy: 0.334
local terms energy: -59.498043
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -7.111
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: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -126.576079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.576079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.576079 (E_RNA)
where:
Base-Base interactions energy: -67.668
where: short stacking energy: -32.029
Base-Backbone interact. energy: -0.170
local terms energy: -58.738231
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -78.615049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.615049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.615049 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -28.200
Base-Backbone interact. energy: -1.124
local terms energy: -42.171830
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: 1.589
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: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -254.770381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.770381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.770381 (E_RNA)
where:
Base-Base interactions energy: -175.587
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.101
local terms energy: -79.082010
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -255.578810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.578810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.578810 (E_RNA)
where:
Base-Base interactions energy: -171.026
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.551
local terms energy: -84.001575
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -19.344
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: 214
Temperature: 1.000000
Total energy: -219.467721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.467721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.467721 (E_RNA)
where:
Base-Base interactions energy: -131.502
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.088
local terms energy: -87.877690
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -220.251955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.251955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.251955 (E_RNA)
where:
Base-Base interactions energy: -141.754
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.969
local terms energy: -77.528285
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -15.816
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: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -177.524183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.524183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.524183 (E_RNA)
where:
Base-Base interactions energy: -105.340
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.002
local terms energy: -72.182696
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -165.967703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.967703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.967703 (E_RNA)
where:
Base-Base interactions energy: -106.427
where: short stacking energy: -53.306
Base-Backbone interact. energy: -0.430
local terms energy: -59.110702
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -101.230611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.230611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.230611 (E_RNA)
where:
Base-Base interactions energy: -40.967
where: short stacking energy: -29.114
Base-Backbone interact. energy: -0.742
local terms energy: -59.521055
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -95.653299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.653299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.653299 (E_RNA)
where:
Base-Base interactions energy: -42.868
where: short stacking energy: -27.497
Base-Backbone interact. energy: -0.066
local terms energy: -52.718897
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -123.743795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.743795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.743795 (E_RNA)
where:
Base-Base interactions energy: -73.581
where: short stacking energy: -43.732
Base-Backbone interact. energy: -0.255
local terms energy: -49.908314
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -4.418
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: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -90.697681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.697681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.697681 (E_RNA)
where:
Base-Base interactions energy: -36.126
where: short stacking energy: -31.027
Base-Backbone interact. energy: 0.210
local terms energy: -54.781678
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -257.564333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.564333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.564333 (E_RNA)
where:
Base-Base interactions energy: -174.130
where: short stacking energy: -77.364
Base-Backbone interact. energy: -0.375
local terms energy: -83.060285
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -252.974332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.974332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.974332 (E_RNA)
where:
Base-Base interactions energy: -172.285
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.278
local terms energy: -80.411196
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -16.375
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: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -209.893836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.893836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.893836 (E_RNA)
where:
Base-Base interactions energy: -127.054
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.126
local terms energy: -82.713808
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -17.826
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: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -208.216233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.216233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.216233 (E_RNA)
where:
Base-Base interactions energy: -142.798
where: short stacking energy: -75.097
Base-Backbone interact. energy: -0.501
local terms energy: -64.916429
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -177.707845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.707845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.707845 (E_RNA)
where:
Base-Base interactions energy: -115.621
where: short stacking energy: -57.445
Base-Backbone interact. energy: -0.179
local terms energy: -61.907811
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -160.743729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.743729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.743729 (E_RNA)
where:
Base-Base interactions energy: -100.694
where: short stacking energy: -46.767
Base-Backbone interact. energy: -0.116
local terms energy: -59.934307
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -13.482
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: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -109.038906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.038906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.038906 (E_RNA)
where:
Base-Base interactions energy: -45.400
where: short stacking energy: -45.180
Base-Backbone interact. energy: -0.192
local terms energy: -63.446915
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -8.351
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: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -96.229669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.229669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.229669 (E_RNA)
where:
Base-Base interactions energy: -41.518
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.102
local terms energy: -54.609842
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -89.297938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.297938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.297938 (E_RNA)
where:
Base-Base interactions energy: -35.504
where: short stacking energy: -25.151
Base-Backbone interact. energy: -1.072
local terms energy: -52.721599
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -79.287586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.287586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.287586 (E_RNA)
where:
Base-Base interactions energy: -23.632
where: short stacking energy: -20.568
Base-Backbone interact. energy: -0.090
local terms energy: -55.565893
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -248.739266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.739266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.739266 (E_RNA)
where:
Base-Base interactions energy: -168.577
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.169
local terms energy: -79.993500
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -256.112350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.112350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.112350 (E_RNA)
where:
Base-Base interactions energy: -171.733
where: short stacking energy: -75.604
Base-Backbone interact. energy: -0.641
local terms energy: -83.738334
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -217.409961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.409961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.409961 (E_RNA)
where:
Base-Base interactions energy: -139.185
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.157
local terms energy: -78.067216
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -19.019
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: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -222.817856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.817856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.817856 (E_RNA)
where:
Base-Base interactions energy: -134.855
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.023
local terms energy: -87.940129
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -209.813222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.813222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.813222 (E_RNA)
where:
Base-Base interactions energy: -138.185
where: short stacking energy: -57.645
Base-Backbone interact. energy: -0.749
local terms energy: -70.878725
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -164.848747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.848747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.848747 (E_RNA)
where:
Base-Base interactions energy: -103.793
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.213
local terms energy: -60.842286
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -10.764
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: 216
Temperature: 1.200000
Total energy: -104.526477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.526477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.526477 (E_RNA)
where:
Base-Base interactions energy: -50.180
where: short stacking energy: -19.638
Base-Backbone interact. energy: -0.393
local terms energy: -53.953807
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: 1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -105.852927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.852927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.852927 (E_RNA)
where:
Base-Base interactions energy: -38.638
where: short stacking energy: -35.822
Base-Backbone interact. energy: 0.519
local terms energy: -67.734604
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -7.770
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: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -82.478190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.478190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.478190 (E_RNA)
where:
Base-Base interactions energy: -37.857
where: short stacking energy: -36.466
Base-Backbone interact. energy: 1.025
local terms energy: -45.645730
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -3.718
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: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -94.775804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.775804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.775804 (E_RNA)
where:
Base-Base interactions energy: -34.604
where: short stacking energy: -31.378
Base-Backbone interact. energy: 0.005
local terms energy: -60.176507
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -2.009
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: 217
Temperature: 0.900000
Total energy: -252.739581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.739581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.739581 (E_RNA)
where:
Base-Base interactions energy: -167.461
where: short stacking energy: -70.068
Base-Backbone interact. energy: 0.494
local terms energy: -85.772529
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -248.371836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.371836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.371836 (E_RNA)
where:
Base-Base interactions energy: -156.570
where: short stacking energy: -70.033
Base-Backbone interact. energy: -0.193
local terms energy: -91.608209
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -215.439628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.439628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.439628 (E_RNA)
where:
Base-Base interactions energy: -134.795
where: short stacking energy: -69.540
Base-Backbone interact. energy: -0.286
local terms energy: -80.358686
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -220.324491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.324491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.324491 (E_RNA)
where:
Base-Base interactions energy: -147.604
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.087
local terms energy: -72.634031
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -204.224321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.224321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.224321 (E_RNA)
where:
Base-Base interactions energy: -130.662
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.044
local terms energy: -73.517725
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -111.327641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.327641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.327641 (E_RNA)
where:
Base-Base interactions energy: -58.426
where: short stacking energy: -36.423
Base-Backbone interact. energy: -0.072
local terms energy: -52.829813
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -170.565687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.565687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.565687 (E_RNA)
where:
Base-Base interactions energy: -101.650
where: short stacking energy: -49.700
Base-Backbone interact. energy: 0.898
local terms energy: -69.813439
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -12.528
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: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -83.194778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.194778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.194778 (E_RNA)
where:
Base-Base interactions energy: -31.705
where: short stacking energy: -24.376
Base-Backbone interact. energy: -0.086
local terms energy: -51.403200
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -81.965405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.965405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.965405 (E_RNA)
where:
Base-Base interactions energy: -25.077
where: short stacking energy: -21.657
Base-Backbone interact. energy: -0.118
local terms energy: -56.769964
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: 1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -89.719742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719742 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -34.105
Base-Backbone interact. energy: -0.167
local terms energy: -52.990455
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -252.182182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.182182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.182182 (E_RNA)
where:
Base-Base interactions energy: -167.894
where: short stacking energy: -78.300
Base-Backbone interact. energy: -1.089
local terms energy: -83.199794
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -22.419
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: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -251.121737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.121737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.121737 (E_RNA)
where:
Base-Base interactions energy: -169.061
where: short stacking energy: -68.358
Base-Backbone interact. energy: 0.913
local terms energy: -82.973474
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -19.826
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: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -237.682694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.682694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.682694 (E_RNA)
where:
Base-Base interactions energy: -157.283
where: short stacking energy: -77.096
Base-Backbone interact. energy: 0.619
local terms energy: -81.017770
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -214.636422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.636422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.636422 (E_RNA)
where:
Base-Base interactions energy: -146.257
where: short stacking energy: -56.692
Base-Backbone interact. energy: 1.539
local terms energy: -69.917842
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -16.797
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: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -225.306090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.306090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.306090 (E_RNA)
where:
Base-Base interactions energy: -145.537
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.099
local terms energy: -79.670033
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -11.396
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: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -116.620931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.620931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.620931 (E_RNA)
where:
Base-Base interactions energy: -51.495
where: short stacking energy: -33.902
Base-Backbone interact. energy: -0.007
local terms energy: -65.118234
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -169.870204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.870204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.870204 (E_RNA)
where:
Base-Base interactions energy: -97.446
where: short stacking energy: -53.685
Base-Backbone interact. energy: -0.237
local terms energy: -72.187284
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -89.291803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291803 (E_RNA)
where:
Base-Base interactions energy: -41.971
where: short stacking energy: -20.746
Base-Backbone interact. energy: -1.346
local terms energy: -45.974169
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: 5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -130.311928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.311928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.311928 (E_RNA)
where:
Base-Base interactions energy: -75.171
where: short stacking energy: -34.487
Base-Backbone interact. energy: -0.594
local terms energy: -54.546968
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -81.270226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.270226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.270226 (E_RNA)
where:
Base-Base interactions energy: -25.578
where: short stacking energy: -23.243
Base-Backbone interact. energy: -0.747
local terms energy: -54.945161
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -248.824310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.824310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.824310 (E_RNA)
where:
Base-Base interactions energy: -168.870
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.799
local terms energy: -79.155062
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -233.221664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.221664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.221664 (E_RNA)
where:
Base-Base interactions energy: -148.873
where: short stacking energy: -80.325
Base-Backbone interact. energy: -0.176
local terms energy: -84.172939
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -20.432
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: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -237.895599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.895599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.895599 (E_RNA)
where:
Base-Base interactions energy: -169.810
where: short stacking energy: -67.652
Base-Backbone interact. energy: -0.211
local terms energy: -67.874080
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -213.926922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.926922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.926922 (E_RNA)
where:
Base-Base interactions energy: -145.183
where: short stacking energy: -67.779
Base-Backbone interact. energy: 0.253
local terms energy: -68.996306
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -12.087
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: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -188.813891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.813891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.813891 (E_RNA)
where:
Base-Base interactions energy: -116.288
where: short stacking energy: -43.277
Base-Backbone interact. energy: -0.342
local terms energy: -72.184166
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -182.164891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.164891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.164891 (E_RNA)
where:
Base-Base interactions energy: -116.018
where: short stacking energy: -37.773
Base-Backbone interact. energy: -0.238
local terms energy: -65.908713
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -89.254716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.254716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.254716 (E_RNA)
where:
Base-Base interactions energy: -45.121
where: short stacking energy: -28.103
Base-Backbone interact. energy: -0.469
local terms energy: -43.664485
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -1.503
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: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -163.202451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.202451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.202451 (E_RNA)
where:
Base-Base interactions energy: -101.345
where: short stacking energy: -47.781
Base-Backbone interact. energy: -0.607
local terms energy: -61.250692
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -83.317419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.317419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.317419 (E_RNA)
where:
Base-Base interactions energy: -27.072
where: short stacking energy: -27.906
Base-Backbone interact. energy: -0.332
local terms energy: -55.913864
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -87.878037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.878037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.878037 (E_RNA)
where:
Base-Base interactions energy: -33.381
where: short stacking energy: -24.898
Base-Backbone interact. energy: 0.427
local terms energy: -54.924114
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -256.099650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.099650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.099650 (E_RNA)
where:
Base-Base interactions energy: -169.284
where: short stacking energy: -62.875
Base-Backbone interact. energy: -1.597
local terms energy: -85.218959
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -226.774269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.774269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.774269 (E_RNA)
where:
Base-Base interactions energy: -144.701
where: short stacking energy: -71.315
Base-Backbone interact. energy: 0.502
local terms energy: -82.575018
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -215.553278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.553278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.553278 (E_RNA)
where:
Base-Base interactions energy: -137.725
where: short stacking energy: -55.693
Base-Backbone interact. energy: -1.182
local terms energy: -76.646187
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -199.218255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.218255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.218255 (E_RNA)
where:
Base-Base interactions energy: -134.566
where: short stacking energy: -65.044
Base-Backbone interact. energy: -0.196
local terms energy: -64.456383
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -215.173962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.173962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.173962 (E_RNA)
where:
Base-Base interactions energy: -134.388
where: short stacking energy: -58.832
Base-Backbone interact. energy: -0.015
local terms energy: -80.771181
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -18.113
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: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -163.001784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.001784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.001784 (E_RNA)
where:
Base-Base interactions energy: -98.710
where: short stacking energy: -40.395
Base-Backbone interact. energy: 0.585
local terms energy: -64.876728
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -183.745053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.745053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.745053 (E_RNA)
where:
Base-Base interactions energy: -119.094
where: short stacking energy: -52.423
Base-Backbone interact. energy: -1.051
local terms energy: -63.600146
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -13.888
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: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -104.738988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.738988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.738988 (E_RNA)
where:
Base-Base interactions energy: -57.814
where: short stacking energy: -43.196
Base-Backbone interact. energy: 2.776
local terms energy: -49.701456
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -91.211990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.211990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.211990 (E_RNA)
where:
Base-Base interactions energy: -35.485
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.207
local terms energy: -55.519451
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: 0.002
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: 220
Temperature: 1.350000
Total energy: -86.072373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.072373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.072373 (E_RNA)
where:
Base-Base interactions energy: -28.383
where: short stacking energy: -26.724
Base-Backbone interact. energy: -0.882
local terms energy: -56.807261
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -254.710527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.710527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.710527 (E_RNA)
where:
Base-Base interactions energy: -169.531
where: short stacking energy: -54.455
Base-Backbone interact. energy: -1.446
local terms energy: -83.733184
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -200.577292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.577292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.577292 (E_RNA)
where:
Base-Base interactions energy: -127.381
where: short stacking energy: -56.620
Base-Backbone interact. energy: 0.115
local terms energy: -73.311381
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -228.825350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.825350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.825350 (E_RNA)
where:
Base-Base interactions energy: -155.048
where: short stacking energy: -73.631
Base-Backbone interact. energy: -0.580
local terms energy: -73.197233
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -21.067
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: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -203.871907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.871907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.871907 (E_RNA)
where:
Base-Base interactions energy: -121.966
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.446
local terms energy: -81.460278
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -199.417712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.417712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.417712 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.036
local terms energy: -76.450898
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -13.876
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: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -187.483879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.483879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.483879 (E_RNA)
where:
Base-Base interactions energy: -126.081
where: short stacking energy: -55.600
Base-Backbone interact. energy: -0.112
local terms energy: -61.290649
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -10.974
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: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -165.366174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.366174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.366174 (E_RNA)
where:
Base-Base interactions energy: -92.997
where: short stacking energy: -47.944
Base-Backbone interact. energy: -0.066
local terms energy: -72.303901
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -107.967969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.967969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.967969 (E_RNA)
where:
Base-Base interactions energy: -50.456
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.064
local terms energy: -57.448287
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -95.892769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.892769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.892769 (E_RNA)
where:
Base-Base interactions energy: -29.305
where: short stacking energy: -29.215
Base-Backbone interact. energy: -0.480
local terms energy: -66.108441
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -11.726
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: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -84.099235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.099235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.099235 (E_RNA)
where:
Base-Base interactions energy: -39.297
where: short stacking energy: -39.297
Base-Backbone interact. energy: -0.581
local terms energy: -44.220966
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -1.790
tors. eta vs tors. theta energy: 0.588
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: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -216.039779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.039779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.039779 (E_RNA)
where:
Base-Base interactions energy: -133.858
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.026
local terms energy: -82.155632
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -250.633530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.633530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.633530 (E_RNA)
where:
Base-Base interactions energy: -167.112
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.559
local terms energy: -82.962436
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -228.376590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.376590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.376590 (E_RNA)
where:
Base-Base interactions energy: -154.905
where: short stacking energy: -73.449
Base-Backbone interact. energy: -0.006
local terms energy: -73.466023
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -228.302788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.302788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.302788 (E_RNA)
where:
Base-Base interactions energy: -152.378
where: short stacking energy: -75.633
Base-Backbone interact. energy: -0.523
local terms energy: -75.401212
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -204.370930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.370930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.370930 (E_RNA)
where:
Base-Base interactions energy: -126.964
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.289
local terms energy: -77.117827
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -18.835
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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -185.461187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.461187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.461187 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.147
local terms energy: -67.633710
where:
bonds (distance) C4'-P energy: -4.771
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -18.854
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: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -131.024850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.024850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.024850 (E_RNA)
where:
Base-Base interactions energy: -66.993
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.135
local terms energy: -63.896469
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -74.040397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.040397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.040397 (E_RNA)
where:
Base-Base interactions energy: -23.438
where: short stacking energy: -15.872
Base-Backbone interact. energy: 0.400
local terms energy: -51.002523
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: 5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -87.146089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146089 (E_RNA)
where:
Base-Base interactions energy: -31.443
where: short stacking energy: -31.443
Base-Backbone interact. energy: -0.132
local terms energy: -55.571094
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -78.196562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.196562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.196562 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -17.687
Base-Backbone interact. energy: -0.204
local terms energy: -49.529079
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.713
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: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -225.628201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.628201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.628201 (E_RNA)
where:
Base-Base interactions energy: -151.127
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.197
local terms energy: -74.304848
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -244.050916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.050916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.050916 (E_RNA)
where:
Base-Base interactions energy: -159.576
where: short stacking energy: -71.001
Base-Backbone interact. energy: -2.370
local terms energy: -82.104598
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -230.098503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.098503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.098503 (E_RNA)
where:
Base-Base interactions energy: -148.988
where: short stacking energy: -65.069
Base-Backbone interact. energy: 0.220
local terms energy: -81.330401
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -216.309151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.309151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.309151 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -61.448
Base-Backbone interact. energy: 0.896
local terms energy: -77.933727
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -220.011669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.011669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.011669 (E_RNA)
where:
Base-Base interactions energy: -131.508
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.092
local terms energy: -88.411200
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -187.305358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.305358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.305358 (E_RNA)
where:
Base-Base interactions energy: -122.295
where: short stacking energy: -65.036
Base-Backbone interact. energy: -0.223
local terms energy: -64.787928
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -14.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -120.546267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.546267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.546267 (E_RNA)
where:
Base-Base interactions energy: -62.051
where: short stacking energy: -17.586
Base-Backbone interact. energy: 0.447
local terms energy: -58.942046
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -2.244
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: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -87.126687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.126687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.126687 (E_RNA)
where:
Base-Base interactions energy: -31.431
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.361
local terms energy: -55.335034
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -6.580
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -80.872121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.872121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.872121 (E_RNA)
where:
Base-Base interactions energy: -24.716
where: short stacking energy: -20.820
Base-Backbone interact. energy: -0.218
local terms energy: -55.938547
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -1.106
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: 223
Temperature: 1.350000
Total energy: -149.186069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.186069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.186069 (E_RNA)
where:
Base-Base interactions energy: -84.998
where: short stacking energy: -42.052
Base-Backbone interact. energy: -0.014
local terms energy: -64.173434
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -14.472
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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -247.126477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.126477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.126477 (E_RNA)
where:
Base-Base interactions energy: -163.926
where: short stacking energy: -72.842
Base-Backbone interact. energy: -1.907
local terms energy: -81.293714
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -221.600227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.600227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.600227 (E_RNA)
where:
Base-Base interactions energy: -137.232
where: short stacking energy: -58.289
Base-Backbone interact. energy: 0.245
local terms energy: -84.613796
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -209.279705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.279705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.279705 (E_RNA)
where:
Base-Base interactions energy: -132.887
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.059
local terms energy: -76.333976
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -17.807
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: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -205.987286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.987286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.987286 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.645
local terms energy: -73.542025
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -218.064214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064214 (E_RNA)
where:
Base-Base interactions energy: -135.740
where: short stacking energy: -71.875
Base-Backbone interact. energy: -0.006
local terms energy: -82.318384
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -189.058046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.058046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058046 (E_RNA)
where:
Base-Base interactions energy: -119.288
where: short stacking energy: -54.407
Base-Backbone interact. energy: 1.289
local terms energy: -71.059912
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -14.035
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: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -112.988912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.988912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.988912 (E_RNA)
where:
Base-Base interactions energy: -61.563
where: short stacking energy: -31.104
Base-Backbone interact. energy: 0.687
local terms energy: -52.113519
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -87.200048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.200048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.200048 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -30.435
Base-Backbone interact. energy: -0.500
local terms energy: -55.791255
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: 0.186
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: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -160.554613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.554613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.554613 (E_RNA)
where:
Base-Base interactions energy: -96.097
where: short stacking energy: -47.263
Base-Backbone interact. energy: -2.335
local terms energy: -62.122669
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -86.009127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.009127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.009127 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.202
local terms energy: -50.829647
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -4.979
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: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -255.353961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.353961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.353961 (E_RNA)
where:
Base-Base interactions energy: -167.207
where: short stacking energy: -73.039
Base-Backbone interact. energy: -2.939
local terms energy: -85.208205
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -216.070830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.070830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.070830 (E_RNA)
where:
Base-Base interactions energy: -139.778
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.699
local terms energy: -75.594062
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -209.635543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.635543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.635543 (E_RNA)
where:
Base-Base interactions energy: -140.622
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.541
local terms energy: -68.472217
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -212.602871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.602871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.602871 (E_RNA)
where:
Base-Base interactions energy: -133.169
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.389
local terms energy: -79.044798
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -213.469153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.469153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.469153 (E_RNA)
where:
Base-Base interactions energy: -141.977
where: short stacking energy: -68.195
Base-Backbone interact. energy: 1.457
local terms energy: -72.949387
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -15.326
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -189.632695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.632695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.632695 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -46.179
Base-Backbone interact. energy: -2.443
local terms energy: -62.083496
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -89.765805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.765805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.765805 (E_RNA)
where:
Base-Base interactions energy: -24.404
where: short stacking energy: -22.056
Base-Backbone interact. energy: -0.196
local terms energy: -65.166249
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -163.193305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.193305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.193305 (E_RNA)
where:
Base-Base interactions energy: -102.317
where: short stacking energy: -41.002
Base-Backbone interact. energy: -0.013
local terms energy: -60.863387
where:
bonds (distance) C4'-P energy: -7.521
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -93.732400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.732400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.732400 (E_RNA)
where:
Base-Base interactions energy: -33.595
where: short stacking energy: -19.600
Base-Backbone interact. energy: -0.047
local terms energy: -60.090176
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -83.442733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.442733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.442733 (E_RNA)
where:
Base-Base interactions energy: -25.979
where: short stacking energy: -24.125
Base-Backbone interact. energy: 2.173
local terms energy: -59.636579
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -246.935404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.935404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.935404 (E_RNA)
where:
Base-Base interactions energy: -162.352
where: short stacking energy: -63.239
Base-Backbone interact. energy: -1.321
local terms energy: -83.262350
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -219.260586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.260586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.260586 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -65.896
Base-Backbone interact. energy: -0.080
local terms energy: -83.123837
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -225.607753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.607753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.607753 (E_RNA)
where:
Base-Base interactions energy: -143.486
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.020
local terms energy: -82.101742
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -204.586588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.586588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.586588 (E_RNA)
where:
Base-Base interactions energy: -128.820
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.003
local terms energy: -75.763344
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -15.961
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: 226
Temperature: 1.100000
Total energy: -202.010889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.010889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.010889 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -43.588
Base-Backbone interact. energy: -1.358
local terms energy: -78.660962
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -15.341
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: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -197.957634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.957634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.957634 (E_RNA)
where:
Base-Base interactions energy: -117.732
where: short stacking energy: -51.611
Base-Backbone interact. energy: 0.619
local terms energy: -80.844937
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -175.893072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.893072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.893072 (E_RNA)
where:
Base-Base interactions energy: -105.819
where: short stacking energy: -61.035
Base-Backbone interact. energy: -0.191
local terms energy: -69.883799
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -16.247
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: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -94.102447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.102447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.102447 (E_RNA)
where:
Base-Base interactions energy: -36.045
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.205
local terms energy: -57.852291
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -90.083242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.083242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.083242 (E_RNA)
where:
Base-Base interactions energy: -31.733
where: short stacking energy: -23.146
Base-Backbone interact. energy: -0.231
local terms energy: -58.118501
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.097
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: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -86.724666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724666 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -30.467
Base-Backbone interact. energy: 0.370
local terms energy: -56.031761
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -245.702294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.702294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.702294 (E_RNA)
where:
Base-Base interactions energy: -169.784
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.147
local terms energy: -75.771315
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -218.632720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632720 (E_RNA)
where:
Base-Base interactions energy: -148.077
where: short stacking energy: -55.229
Base-Backbone interact. energy: -0.150
local terms energy: -70.405336
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -228.187420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.187420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.187420 (E_RNA)
where:
Base-Base interactions energy: -146.405
where: short stacking energy: -65.007
Base-Backbone interact. energy: -0.582
local terms energy: -81.200898
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -199.625298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.625298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.625298 (E_RNA)
where:
Base-Base interactions energy: -120.974
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.239
local terms energy: -78.412040
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -193.495449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.495449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.495449 (E_RNA)
where:
Base-Base interactions energy: -123.001
where: short stacking energy: -61.859
Base-Backbone interact. energy: -0.024
local terms energy: -70.470167
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -186.723852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.723852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.723852 (E_RNA)
where:
Base-Base interactions energy: -115.973
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.312
local terms energy: -70.439179
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -173.762958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.762958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.762958 (E_RNA)
where:
Base-Base interactions energy: -110.775
where: short stacking energy: -41.906
Base-Backbone interact. energy: -0.271
local terms energy: -62.717104
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -104.273782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.273782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.273782 (E_RNA)
where:
Base-Base interactions energy: -59.144
where: short stacking energy: -21.349
Base-Backbone interact. energy: -1.185
local terms energy: -43.945092
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: 5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -89.275410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.275410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.275410 (E_RNA)
where:
Base-Base interactions energy: -23.619
where: short stacking energy: -23.104
Base-Backbone interact. energy: -0.287
local terms energy: -65.370029
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -5.202
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: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -86.244928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.244928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.244928 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.016
local terms energy: -52.026092
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -0.912
tors. eta vs tors. theta energy: -5.969
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: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -245.415441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.415441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.415441 (E_RNA)
where:
Base-Base interactions energy: -160.556
where: short stacking energy: -69.556
Base-Backbone interact. energy: -0.073
local terms energy: -84.786182
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -17.966
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: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -229.847755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847755 (E_RNA)
where:
Base-Base interactions energy: -147.562
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.106
local terms energy: -82.179359
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -209.855184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.855184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.855184 (E_RNA)
where:
Base-Base interactions energy: -130.433
where: short stacking energy: -63.517
Base-Backbone interact. energy: -0.530
local terms energy: -78.891863
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -210.931104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.931104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.931104 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -72.413
Base-Backbone interact. energy: -0.012
local terms energy: -80.367744
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -171.162245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.162245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.162245 (E_RNA)
where:
Base-Base interactions energy: -102.710
where: short stacking energy: -59.825
Base-Backbone interact. energy: 0.500
local terms energy: -68.952201
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -198.015794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.015794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.015794 (E_RNA)
where:
Base-Base interactions energy: -128.979
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.517
local terms energy: -68.519848
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -100.721282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.721282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.721282 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -29.070
Base-Backbone interact. energy: -0.889
local terms energy: -49.141578
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -8.108
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -0.085
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: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -166.189317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.189317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.189317 (E_RNA)
where:
Base-Base interactions energy: -94.372
where: short stacking energy: -46.680
Base-Backbone interact. energy: -1.274
local terms energy: -70.543585
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -13.857
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: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -105.679387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.679387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.679387 (E_RNA)
where:
Base-Base interactions energy: -46.471
where: short stacking energy: -36.548
Base-Backbone interact. energy: -1.946
local terms energy: -57.262825
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -76.695389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.695389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.695389 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -23.855
Base-Backbone interact. energy: -0.655
local terms energy: -38.928807
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -8.630
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -235.431495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.431495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.431495 (E_RNA)
where:
Base-Base interactions energy: -157.581
where: short stacking energy: -62.386
Base-Backbone interact. energy: -0.049
local terms energy: -77.801122
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -217.644489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.644489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.644489 (E_RNA)
where:
Base-Base interactions energy: -140.594
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.192
local terms energy: -76.858889
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -217.705167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.705167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.705167 (E_RNA)
where:
Base-Base interactions energy: -130.507
where: short stacking energy: -69.861
Base-Backbone interact. energy: -1.736
local terms energy: -85.462168
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -217.621714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.621714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.621714 (E_RNA)
where:
Base-Base interactions energy: -131.597
where: short stacking energy: -70.242
Base-Backbone interact. energy: -0.076
local terms energy: -85.948410
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -188.853941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.853941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.853941 (E_RNA)
where:
Base-Base interactions energy: -114.895
where: short stacking energy: -61.341
Base-Backbone interact. energy: -0.130
local terms energy: -73.828317
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -16.321
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: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -195.548089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.548089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.548089 (E_RNA)
where:
Base-Base interactions energy: -126.396
where: short stacking energy: -59.067
Base-Backbone interact. energy: 0.671
local terms energy: -69.822499
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -136.318176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.318176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.318176 (E_RNA)
where:
Base-Base interactions energy: -74.081
where: short stacking energy: -36.921
Base-Backbone interact. energy: 0.889
local terms energy: -63.126368
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -132.151574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.151574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.151574 (E_RNA)
where:
Base-Base interactions energy: -73.814
where: short stacking energy: -21.559
Base-Backbone interact. energy: -0.388
local terms energy: -57.949594
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -86.869328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.869328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.869328 (E_RNA)
where:
Base-Base interactions energy: -23.312
where: short stacking energy: -23.312
Base-Backbone interact. energy: -0.451
local terms energy: -63.106982
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -1.363
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -84.756952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.756952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.756952 (E_RNA)
where:
Base-Base interactions energy: -29.893
where: short stacking energy: -29.893
Base-Backbone interact. energy: 4.455
local terms energy: -59.319156
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -10.196
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: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -232.812075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.812075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.812075 (E_RNA)
where:
Base-Base interactions energy: -151.053
where: short stacking energy: -73.169
Base-Backbone interact. energy: -0.148
local terms energy: -81.611288
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -18.336
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: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -248.372768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.372768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.372768 (E_RNA)
where:
Base-Base interactions energy: -161.988
where: short stacking energy: -74.546
Base-Backbone interact. energy: -1.968
local terms energy: -84.416361
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -22.073
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: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -207.647109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.647109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.647109 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -65.107
Base-Backbone interact. energy: 0.076
local terms energy: -79.377164
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -202.576939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576939 (E_RNA)
where:
Base-Base interactions energy: -133.572
where: short stacking energy: -66.604
Base-Backbone interact. energy: 0.476
local terms energy: -69.480448
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -195.881372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.881372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.881372 (E_RNA)
where:
Base-Base interactions energy: -115.211
where: short stacking energy: -63.375
Base-Backbone interact. energy: 0.266
local terms energy: -80.936783
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -168.885549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.885549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.885549 (E_RNA)
where:
Base-Base interactions energy: -99.430
where: short stacking energy: -42.711
Base-Backbone interact. energy: 0.005
local terms energy: -69.460634
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -165.819350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.819350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.819350 (E_RNA)
where:
Base-Base interactions energy: -99.704
where: short stacking energy: -46.789
Base-Backbone interact. energy: -0.162
local terms energy: -65.953440
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -136.815788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.815788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.815788 (E_RNA)
where:
Base-Base interactions energy: -76.905
where: short stacking energy: -32.710
Base-Backbone interact. energy: -1.453
local terms energy: -58.458400
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -96.696417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.696417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.696417 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -26.378
Base-Backbone interact. energy: -0.312
local terms energy: -62.512948
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -82.813357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.813357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.813357 (E_RNA)
where:
Base-Base interactions energy: -33.391
where: short stacking energy: -33.591
Base-Backbone interact. energy: -0.828
local terms energy: -48.595108
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -227.443062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.443062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.443062 (E_RNA)
where:
Base-Base interactions energy: -143.017
where: short stacking energy: -67.837
Base-Backbone interact. energy: -1.850
local terms energy: -82.575980
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -235.468520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.468520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.468520 (E_RNA)
where:
Base-Base interactions energy: -155.015
where: short stacking energy: -61.889
Base-Backbone interact. energy: 0.203
local terms energy: -80.656620
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -211.795740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.795740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.795740 (E_RNA)
where:
Base-Base interactions energy: -131.169
where: short stacking energy: -60.480
Base-Backbone interact. energy: -0.078
local terms energy: -80.548068
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -230.448840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.448840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.448840 (E_RNA)
where:
Base-Base interactions energy: -145.519
where: short stacking energy: -75.269
Base-Backbone interact. energy: -0.009
local terms energy: -84.920565
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -22.692
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -207.921839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.921839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.921839 (E_RNA)
where:
Base-Base interactions energy: -125.391
where: short stacking energy: -67.447
Base-Backbone interact. energy: -0.003
local terms energy: -82.528285
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -171.374892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.374892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374892 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.650
local terms energy: -64.258016
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -180.398732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.398732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.398732 (E_RNA)
where:
Base-Base interactions energy: -111.631
where: short stacking energy: -49.724
Base-Backbone interact. energy: 0.135
local terms energy: -68.902897
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -144.034182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.034182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.034182 (E_RNA)
where:
Base-Base interactions energy: -92.399
where: short stacking energy: -26.976
Base-Backbone interact. energy: 1.769
local terms energy: -53.404167
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -80.735180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.735180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.735180 (E_RNA)
where:
Base-Base interactions energy: -20.613
where: short stacking energy: -20.613
Base-Backbone interact. energy: -0.371
local terms energy: -59.751107
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -12.327
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: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.423400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.423400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.423400 (E_RNA)
where:
Base-Base interactions energy: -23.029
where: short stacking energy: -23.029
Base-Backbone interact. energy: 0.801
local terms energy: -54.195846
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -10.256
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: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -251.867851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.867851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.867851 (E_RNA)
where:
Base-Base interactions energy: -165.233
where: short stacking energy: -69.309
Base-Backbone interact. energy: -1.882
local terms energy: -84.753652
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -213.452061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.452061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.452061 (E_RNA)
where:
Base-Base interactions energy: -139.660
where: short stacking energy: -56.209
Base-Backbone interact. energy: -0.960
local terms energy: -72.831365
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -215.678219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.678219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.678219 (E_RNA)
where:
Base-Base interactions energy: -134.194
where: short stacking energy: -67.076
Base-Backbone interact. energy: -1.285
local terms energy: -80.199519
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -207.234085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.234085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.234085 (E_RNA)
where:
Base-Base interactions energy: -135.519
where: short stacking energy: -58.010
Base-Backbone interact. energy: -0.254
local terms energy: -71.460858
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -197.833839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.833839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.833839 (E_RNA)
where:
Base-Base interactions energy: -124.009
where: short stacking energy: -57.151
Base-Backbone interact. energy: -0.405
local terms energy: -73.419377
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -174.639905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.639905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.639905 (E_RNA)
where:
Base-Base interactions energy: -102.050
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.487
local terms energy: -72.103219
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -171.199193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.199193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.199193 (E_RNA)
where:
Base-Base interactions energy: -104.452
where: short stacking energy: -46.083
Base-Backbone interact. energy: -0.893
local terms energy: -65.854941
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -164.457282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.457282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.457282 (E_RNA)
where:
Base-Base interactions energy: -99.254
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.582
local terms energy: -64.621588
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -85.823824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.823824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.823824 (E_RNA)
where:
Base-Base interactions energy: -38.412
where: short stacking energy: -26.707
Base-Backbone interact. energy: -0.202
local terms energy: -47.210302
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -100.573899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.573899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.573899 (E_RNA)
where:
Base-Base interactions energy: -42.309
where: short stacking energy: -21.109
Base-Backbone interact. energy: -0.579
local terms energy: -57.685207
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -242.683493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.683493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.683493 (E_RNA)
where:
Base-Base interactions energy: -162.013
where: short stacking energy: -60.875
Base-Backbone interact. energy: -1.198
local terms energy: -79.473052
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -212.859493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.859493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.859493 (E_RNA)
where:
Base-Base interactions energy: -137.129
where: short stacking energy: -58.232
Base-Backbone interact. energy: -0.986
local terms energy: -74.744721
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -218.090419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.090419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.090419 (E_RNA)
where:
Base-Base interactions energy: -137.863
where: short stacking energy: -71.280
Base-Backbone interact. energy: -0.038
local terms energy: -80.190183
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -20.603
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: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -215.840842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.840842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840842 (E_RNA)
where:
Base-Base interactions energy: -129.696
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.273
local terms energy: -85.872436
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -210.652298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.652298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.652298 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -63.013
Base-Backbone interact. energy: -0.110
local terms energy: -73.515725
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -20.763
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: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -183.922120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.922120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.922120 (E_RNA)
where:
Base-Base interactions energy: -116.896
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.149
local terms energy: -66.876683
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -11.574
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: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -176.989353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.989353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.989353 (E_RNA)
where:
Base-Base interactions energy: -110.069
where: short stacking energy: -56.179
Base-Backbone interact. energy: -0.201
local terms energy: -66.719243
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.624
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: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -99.584273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.584273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.584273 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -34.501
Base-Backbone interact. energy: 0.104
local terms energy: -65.187157
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -104.223112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.223112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.223112 (E_RNA)
where:
Base-Base interactions energy: -45.015
where: short stacking energy: -22.364
Base-Backbone interact. energy: 1.275
local terms energy: -60.483178
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -1.981
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: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -96.088885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.088885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.088885 (E_RNA)
where:
Base-Base interactions energy: -29.184
where: short stacking energy: -29.870
Base-Backbone interact. energy: -0.352
local terms energy: -66.553121
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -2.651
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: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -249.016112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.016112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.016112 (E_RNA)
where:
Base-Base interactions energy: -162.898
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.581
local terms energy: -85.537980
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -21.480
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -218.664924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.664924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.664924 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.812
local terms energy: -83.581627
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -17.603
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: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -227.807249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.807249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.807249 (E_RNA)
where:
Base-Base interactions energy: -145.443
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.310
local terms energy: -82.054450
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -190.016778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.016778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.016778 (E_RNA)
where:
Base-Base interactions energy: -118.071
where: short stacking energy: -63.755
Base-Backbone interact. energy: 0.633
local terms energy: -72.578489
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -15.096
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: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -216.415956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415956 (E_RNA)
where:
Base-Base interactions energy: -142.318
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.097
local terms energy: -74.001060
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -185.053071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.053071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.053071 (E_RNA)
where:
Base-Base interactions energy: -116.978
where: short stacking energy: -50.598
Base-Backbone interact. energy: 0.383
local terms energy: -68.458438
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -175.317445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.317445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.317445 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.333
local terms energy: -59.873045
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -85.281091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.281091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.281091 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -28.445
Base-Backbone interact. energy: -0.232
local terms energy: -56.604439
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -86.286866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.286866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.286866 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -22.426
Base-Backbone interact. energy: 0.376
local terms energy: -57.831819
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: 1.642
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: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -76.048687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.048687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.048687 (E_RNA)
where:
Base-Base interactions energy: -19.512
where: short stacking energy: -18.454
Base-Backbone interact. energy: -0.023
local terms energy: -56.513563
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -255.102041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.102041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.102041 (E_RNA)
where:
Base-Base interactions energy: -170.537
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.224
local terms energy: -84.341504
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -228.478264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.478264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.478264 (E_RNA)
where:
Base-Base interactions energy: -148.265
where: short stacking energy: -76.500
Base-Backbone interact. energy: -0.086
local terms energy: -80.126571
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -202.304705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.304705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.304705 (E_RNA)
where:
Base-Base interactions energy: -120.206
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.483
local terms energy: -81.615082
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -206.150367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.150367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.150367 (E_RNA)
where:
Base-Base interactions energy: -128.503
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.086
local terms energy: -77.560890
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -180.501350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.501350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.501350 (E_RNA)
where:
Base-Base interactions energy: -102.751
where: short stacking energy: -49.899
Base-Backbone interact. energy: -0.048
local terms energy: -77.702464
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -202.330656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.330656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.330656 (E_RNA)
where:
Base-Base interactions energy: -141.462
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.201
local terms energy: -60.667092
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -15.947
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: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -170.311405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.311405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.311405 (E_RNA)
where:
Base-Base interactions energy: -104.593
where: short stacking energy: -49.307
Base-Backbone interact. energy: -0.017
local terms energy: -65.701253
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -93.089375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.089375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.089375 (E_RNA)
where:
Base-Base interactions energy: -41.684
where: short stacking energy: -28.922
Base-Backbone interact. energy: 0.527
local terms energy: -51.932258
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: 0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -98.717191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.717191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.717191 (E_RNA)
where:
Base-Base interactions energy: -35.879
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.137
local terms energy: -62.701648
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -2.990
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: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -84.449748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.449748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.449748 (E_RNA)
where:
Base-Base interactions energy: -23.797
where: short stacking energy: -17.099
Base-Backbone interact. energy: -0.330
local terms energy: -60.322668
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -1.113
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: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -236.535189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535189 (E_RNA)
where:
Base-Base interactions energy: -152.720
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.737
local terms energy: -83.077475
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -224.877101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.877101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.877101 (E_RNA)
where:
Base-Base interactions energy: -144.584
where: short stacking energy: -60.932
Base-Backbone interact. energy: -0.077
local terms energy: -80.216458
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -203.576171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.576171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.576171 (E_RNA)
where:
Base-Base interactions energy: -120.968
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.642
local terms energy: -81.966509
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -208.319108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.319108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.319108 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -60.438
Base-Backbone interact. energy: 0.069
local terms energy: -77.861059
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -196.143391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.143391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.143391 (E_RNA)
where:
Base-Base interactions energy: -127.943
where: short stacking energy: -54.737
Base-Backbone interact. energy: -0.188
local terms energy: -68.011982
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -181.170256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.170256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.170256 (E_RNA)
where:
Base-Base interactions energy: -106.098
where: short stacking energy: -53.149
Base-Backbone interact. energy: -0.008
local terms energy: -75.063934
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -194.347441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.347441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.347441 (E_RNA)
where:
Base-Base interactions energy: -123.308
where: short stacking energy: -57.928
Base-Backbone interact. energy: -0.005
local terms energy: -71.034984
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -11.510
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: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -109.723220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.723220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.723220 (E_RNA)
where:
Base-Base interactions energy: -58.015
where: short stacking energy: -26.392
Base-Backbone interact. energy: -0.427
local terms energy: -51.281208
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -87.806273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.806273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.806273 (E_RNA)
where:
Base-Base interactions energy: -30.545
where: short stacking energy: -27.207
Base-Backbone interact. energy: -0.730
local terms energy: -56.531383
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -85.589806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.589806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.589806 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -31.023
Base-Backbone interact. energy: 0.865
local terms energy: -54.450614
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -7.263
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: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -235.929910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.929910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.929910 (E_RNA)
where:
Base-Base interactions energy: -148.362
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.987
local terms energy: -86.580031
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -223.038600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.038600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.038600 (E_RNA)
where:
Base-Base interactions energy: -150.652
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.601
local terms energy: -71.785751
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -17.307
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -201.802713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.802713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.802713 (E_RNA)
where:
Base-Base interactions energy: -123.154
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.068
local terms energy: -78.580857
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -218.635301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.635301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.635301 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -70.335
Base-Backbone interact. energy: -0.242
local terms energy: -67.024878
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -205.587200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.587200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.587200 (E_RNA)
where:
Base-Base interactions energy: -131.606
where: short stacking energy: -66.838
Base-Backbone interact. energy: -0.002
local terms energy: -73.978442
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -170.833266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.833266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.833266 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -52.820
Base-Backbone interact. energy: -0.119
local terms energy: -57.054162
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -160.003209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.003209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.003209 (E_RNA)
where:
Base-Base interactions energy: -97.244
where: short stacking energy: -44.735
Base-Backbone interact. energy: -0.764
local terms energy: -61.995157
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -91.478085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.478085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.478085 (E_RNA)
where:
Base-Base interactions energy: -38.690
where: short stacking energy: -26.489
Base-Backbone interact. energy: -0.231
local terms energy: -52.556912
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -82.830138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.830138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.830138 (E_RNA)
where:
Base-Base interactions energy: -25.159
where: short stacking energy: -16.498
Base-Backbone interact. energy: -0.028
local terms energy: -57.644021
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.815405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.815405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.815405 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.290
local terms energy: -52.894066
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -252.312150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.312150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.312150 (E_RNA)
where:
Base-Base interactions energy: -159.673
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.875
local terms energy: -91.764529
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -24.238
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: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -229.001399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.001399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.001399 (E_RNA)
where:
Base-Base interactions energy: -149.786
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.194
local terms energy: -79.021300
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -19.754
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: 238
Temperature: 1.000000
Total energy: -216.163829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.163829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.163829 (E_RNA)
where:
Base-Base interactions energy: -135.617
where: short stacking energy: -60.962
Base-Backbone interact. energy: -0.089
local terms energy: -80.457435
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -216.199381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.199381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.199381 (E_RNA)
where:
Base-Base interactions energy: -137.820
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.395
local terms energy: -77.983996
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -202.086716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.086716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.086716 (E_RNA)
where:
Base-Base interactions energy: -128.572
where: short stacking energy: -68.443
Base-Backbone interact. energy: 0.332
local terms energy: -73.846161
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -171.011969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.011969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.011969 (E_RNA)
where:
Base-Base interactions energy: -109.228
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.121
local terms energy: -61.662770
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -10.092
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: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -175.704229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.704229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.704229 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -46.138
Base-Backbone interact. energy: 0.156
local terms energy: -51.285924
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -11.835
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: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -94.966716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.966716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.966716 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -44.509
Base-Backbone interact. energy: -0.069
local terms energy: -50.388754
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -84.564068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564068 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -23.577
Base-Backbone interact. energy: -0.459
local terms energy: -47.544888
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.368
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: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -70.739020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.739020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.739020 (E_RNA)
where:
Base-Base interactions energy: -24.587
where: short stacking energy: -12.649
Base-Backbone interact. energy: -0.123
local terms energy: -46.029693
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: 3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -249.085018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.085018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.085018 (E_RNA)
where:
Base-Base interactions energy: -168.143
where: short stacking energy: -68.752
Base-Backbone interact. energy: -2.268
local terms energy: -78.674382
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -232.578571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.578571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.578571 (E_RNA)
where:
Base-Base interactions energy: -148.374
where: short stacking energy: -69.183
Base-Backbone interact. energy: -1.269
local terms energy: -82.935771
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -224.732133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.732133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.732133 (E_RNA)
where:
Base-Base interactions energy: -135.910
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.071
local terms energy: -88.751089
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -24.602
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: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -194.651851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.651851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.651851 (E_RNA)
where:
Base-Base interactions energy: -112.917
where: short stacking energy: -53.508
Base-Backbone interact. energy: -0.043
local terms energy: -81.691835
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -214.616427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.616427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.616427 (E_RNA)
where:
Base-Base interactions energy: -141.643
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.354
local terms energy: -72.619555
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -171.670219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.670219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.670219 (E_RNA)
where:
Base-Base interactions energy: -110.024
where: short stacking energy: -51.987
Base-Backbone interact. energy: -0.039
local terms energy: -61.606792
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -11.996
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: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -156.696667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.696667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.696667 (E_RNA)
where:
Base-Base interactions energy: -95.037
where: short stacking energy: -44.539
Base-Backbone interact. energy: -0.154
local terms energy: -61.506207
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -101.987403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.987403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.987403 (E_RNA)
where:
Base-Base interactions energy: -50.945
where: short stacking energy: -30.197
Base-Backbone interact. energy: -1.041
local terms energy: -50.001167
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -93.922521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.922521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.922521 (E_RNA)
where:
Base-Base interactions energy: -26.206
where: short stacking energy: -22.393
Base-Backbone interact. energy: -0.107
local terms energy: -67.609125
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: 2.901
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -74.025823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.025823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.025823 (E_RNA)
where:
Base-Base interactions energy: -24.353
where: short stacking energy: -24.353
Base-Backbone interact. energy: -0.339
local terms energy: -49.334532
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -11.594
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: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -249.513737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.513737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.513737 (E_RNA)
where:
Base-Base interactions energy: -169.298
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.689
local terms energy: -79.527501
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -238.992089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.992089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.992089 (E_RNA)
where:
Base-Base interactions energy: -156.341
where: short stacking energy: -74.930
Base-Backbone interact. energy: 1.227
local terms energy: -83.878510
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -228.264567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.264567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.264567 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -78.350
Base-Backbone interact. energy: -1.050
local terms energy: -78.978084
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -21.935
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: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -187.328904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.328904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.328904 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -47.970
Base-Backbone interact. energy: -0.065
local terms energy: -69.453985
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -205.378143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.378143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.378143 (E_RNA)
where:
Base-Base interactions energy: -123.379
where: short stacking energy: -53.019
Base-Backbone interact. energy: -0.064
local terms energy: -81.935037
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -191.703643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.703643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.703643 (E_RNA)
where:
Base-Base interactions energy: -118.889
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.872
local terms energy: -71.942764
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -124.177991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.177991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.177991 (E_RNA)
where:
Base-Base interactions energy: -64.601
where: short stacking energy: -31.353
Base-Backbone interact. energy: 0.895
local terms energy: -60.471981
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -8.905
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: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -93.221577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.221577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.221577 (E_RNA)
where:
Base-Base interactions energy: -29.697
where: short stacking energy: -25.831
Base-Backbone interact. energy: -0.525
local terms energy: -62.999574
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: 0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -86.968565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.968565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.968565 (E_RNA)
where:
Base-Base interactions energy: -34.097
where: short stacking energy: -19.806
Base-Backbone interact. energy: -0.151
local terms energy: -52.721362
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: 1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -89.756988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.756988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.756988 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -27.262
Base-Backbone interact. energy: 2.254
local terms energy: -62.524134
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -253.454973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.454973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.454973 (E_RNA)
where:
Base-Base interactions energy: -177.064
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.263
local terms energy: -76.127998
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -227.527322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.527322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.527322 (E_RNA)
where:
Base-Base interactions energy: -152.142
where: short stacking energy: -70.420
Base-Backbone interact. energy: 0.748
local terms energy: -76.133449
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -222.516624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.516624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.516624 (E_RNA)
where:
Base-Base interactions energy: -132.427
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.803
local terms energy: -89.287195
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -207.784893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.784893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.784893 (E_RNA)
where:
Base-Base interactions energy: -138.421
where: short stacking energy: -56.247
Base-Backbone interact. energy: 0.495
local terms energy: -69.859479
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -203.289085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.289085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.289085 (E_RNA)
where:
Base-Base interactions energy: -123.293
where: short stacking energy: -57.840
Base-Backbone interact. energy: -0.077
local terms energy: -79.919647
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -16.402
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: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -176.481696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.481696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.481696 (E_RNA)
where:
Base-Base interactions energy: -104.760
where: short stacking energy: -57.179
Base-Backbone interact. energy: 0.262
local terms energy: -71.984010
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -134.479454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.479454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.479454 (E_RNA)
where:
Base-Base interactions energy: -80.215
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.437
local terms energy: -53.827421
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: 0.203
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: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -94.390141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.390141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.390141 (E_RNA)
where:
Base-Base interactions energy: -39.422
where: short stacking energy: -24.436
Base-Backbone interact. energy: -0.171
local terms energy: -54.797901
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -83.386419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.386419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.386419 (E_RNA)
where:
Base-Base interactions energy: -27.103
where: short stacking energy: -24.839
Base-Backbone interact. energy: -0.289
local terms energy: -55.994288
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.616687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.616687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.616687 (E_RNA)
where:
Base-Base interactions energy: -35.850
where: short stacking energy: -35.850
Base-Backbone interact. energy: 1.261
local terms energy: -48.028372
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -8.737
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: 242
Temperature: 0.900000
Total energy: -251.652412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.652412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.652412 (E_RNA)
where:
Base-Base interactions energy: -172.661
where: short stacking energy: -63.223
Base-Backbone interact. energy: -0.228
local terms energy: -78.764280
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -232.489434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.489434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.489434 (E_RNA)
where:
Base-Base interactions energy: -148.485
where: short stacking energy: -64.880
Base-Backbone interact. energy: -0.604
local terms energy: -83.400369
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -217.172180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.172180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.172180 (E_RNA)
where:
Base-Base interactions energy: -140.093
where: short stacking energy: -56.204
Base-Backbone interact. energy: 0.450
local terms energy: -77.529509
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -214.927500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.927500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.927500 (E_RNA)
where:
Base-Base interactions energy: -132.422
where: short stacking energy: -71.160
Base-Backbone interact. energy: 0.228
local terms energy: -82.733655
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -18.202
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: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -179.572088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.572088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.572088 (E_RNA)
where:
Base-Base interactions energy: -104.575
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.008
local terms energy: -74.989329
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -179.731527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.731527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.731527 (E_RNA)
where:
Base-Base interactions energy: -103.532
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.508
local terms energy: -75.690859
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -118.564171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.564171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.564171 (E_RNA)
where:
Base-Base interactions energy: -60.285
where: short stacking energy: -36.679
Base-Backbone interact. energy: -0.293
local terms energy: -57.985707
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -1.331
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: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -101.448894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.448894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.448894 (E_RNA)
where:
Base-Base interactions energy: -38.105
where: short stacking energy: -34.544
Base-Backbone interact. energy: -0.046
local terms energy: -63.298139
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -83.330710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.330710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.330710 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -27.789
Base-Backbone interact. energy: 0.016
local terms energy: -53.434528
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -97.839180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.839180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.839180 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -30.071
Base-Backbone interact. energy: 2.729
local terms energy: -56.215135
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -3.421
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: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -249.337495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.337495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.337495 (E_RNA)
where:
Base-Base interactions energy: -165.990
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.347
local terms energy: -83.000400
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -221.143074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.143074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.143074 (E_RNA)
where:
Base-Base interactions energy: -141.844
where: short stacking energy: -76.360
Base-Backbone interact. energy: -0.010
local terms energy: -79.288940
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -13.485
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: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -225.558616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.558616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.558616 (E_RNA)
where:
Base-Base interactions energy: -151.047
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.443
local terms energy: -74.068789
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -202.072804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.072804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.072804 (E_RNA)
where:
Base-Base interactions energy: -118.026
where: short stacking energy: -61.745
Base-Backbone interact. energy: -0.021
local terms energy: -84.025793
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -217.456943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.456943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.456943 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.212
local terms energy: -70.508190
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -200.897226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.897226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.897226 (E_RNA)
where:
Base-Base interactions energy: -121.132
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.009
local terms energy: -79.756332
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -15.507
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: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -89.223059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.223059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.223059 (E_RNA)
where:
Base-Base interactions energy: -29.612
where: short stacking energy: -28.538
Base-Backbone interact. energy: -0.171
local terms energy: -59.440181
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -97.167695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.167695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.167695 (E_RNA)
where:
Base-Base interactions energy: -33.620
where: short stacking energy: -33.620
Base-Backbone interact. energy: -0.293
local terms energy: -63.254310
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -106.649414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.649414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.649414 (E_RNA)
where:
Base-Base interactions energy: -59.927
where: short stacking energy: -21.912
Base-Backbone interact. energy: -0.554
local terms energy: -46.168619
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -84.963890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.963890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.963890 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -34.561
Base-Backbone interact. energy: 0.316
local terms energy: -46.134156
where:
bonds (distance) C4'-P energy: -6.225
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: 0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -230.640882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.640882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.640882 (E_RNA)
where:
Base-Base interactions energy: -145.532
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.421
local terms energy: -84.688222
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -235.092102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.092102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.092102 (E_RNA)
where:
Base-Base interactions energy: -157.369
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.016
local terms energy: -77.707402
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -214.604544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.604544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.604544 (E_RNA)
where:
Base-Base interactions energy: -139.238
where: short stacking energy: -71.626
Base-Backbone interact. energy: -0.111
local terms energy: -75.255289
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -223.276104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.276104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.276104 (E_RNA)
where:
Base-Base interactions energy: -146.247
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.023
local terms energy: -77.006321
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -202.176056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.176056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.176056 (E_RNA)
where:
Base-Base interactions energy: -125.187
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.062
local terms energy: -76.927903
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -192.820142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.820142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.820142 (E_RNA)
where:
Base-Base interactions energy: -133.964
where: short stacking energy: -56.584
Base-Backbone interact. energy: 0.614
local terms energy: -59.469866
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -5.679
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -14.190
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: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -102.527702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.527702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.527702 (E_RNA)
where:
Base-Base interactions energy: -48.294
where: short stacking energy: -38.797
Base-Backbone interact. energy: -0.204
local terms energy: -54.029786
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -96.409574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.409574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.409574 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.289
local terms energy: -57.079752
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.634
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: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -99.442812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.442812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.442812 (E_RNA)
where:
Base-Base interactions energy: -47.296
where: short stacking energy: -27.224
Base-Backbone interact. energy: -0.337
local terms energy: -51.810648
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -87.192489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.192489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.192489 (E_RNA)
where:
Base-Base interactions energy: -31.181
where: short stacking energy: -29.485
Base-Backbone interact. energy: 1.743
local terms energy: -57.753748
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -6.257
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -230.001421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.001421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.001421 (E_RNA)
where:
Base-Base interactions energy: -141.127
where: short stacking energy: -71.078
Base-Backbone interact. energy: -0.431
local terms energy: -88.443713
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -22.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -241.961168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.961168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.961168 (E_RNA)
where:
Base-Base interactions energy: -155.624
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.244
local terms energy: -86.093008
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -213.558741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.558741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.558741 (E_RNA)
where:
Base-Base interactions energy: -134.266
where: short stacking energy: -63.019
Base-Backbone interact. energy: -1.591
local terms energy: -77.702521
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -190.552368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.552368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.552368 (E_RNA)
where:
Base-Base interactions energy: -105.544
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.142
local terms energy: -84.867008
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -178.731368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.731368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.731368 (E_RNA)
where:
Base-Base interactions energy: -116.512
where: short stacking energy: -57.851
Base-Backbone interact. energy: 1.301
local terms energy: -63.520568
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -203.265338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.265338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.265338 (E_RNA)
where:
Base-Base interactions energy: -124.367
where: short stacking energy: -62.125
Base-Backbone interact. energy: 0.486
local terms energy: -79.384190
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -13.691
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: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -96.830938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.830938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.830938 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -26.828
Base-Backbone interact. energy: 0.348
local terms energy: -57.256293
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: 2.206
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: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -89.287838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.287838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.287838 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.199
local terms energy: -54.177684
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -85.744896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744896 (E_RNA)
where:
Base-Base interactions energy: -32.507
where: short stacking energy: -27.001
Base-Backbone interact. energy: -0.169
local terms energy: -53.068707
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -91.831671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.831671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.831671 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -33.929
Base-Backbone interact. energy: -0.144
local terms energy: -57.759152
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -255.410345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.410345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.410345 (E_RNA)
where:
Base-Base interactions energy: -173.482
where: short stacking energy: -62.704
Base-Backbone interact. energy: -0.080
local terms energy: -81.848233
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -229.554283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.554283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.554283 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -67.495
Base-Backbone interact. energy: 0.668
local terms energy: -83.785876
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -228.728270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.728270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.728270 (E_RNA)
where:
Base-Base interactions energy: -138.905
where: short stacking energy: -77.341
Base-Backbone interact. energy: -0.001
local terms energy: -89.822476
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -184.318070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.318070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.318070 (E_RNA)
where:
Base-Base interactions energy: -114.758
where: short stacking energy: -55.228
Base-Backbone interact. energy: -0.325
local terms energy: -69.235371
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -11.294
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: 246
Temperature: 1.100000
Total energy: -187.951627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.951627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.951627 (E_RNA)
where:
Base-Base interactions energy: -120.062
where: short stacking energy: -43.892
Base-Backbone interact. energy: -0.234
local terms energy: -67.655814
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -5.974
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: 246
Temperature: 1.150000
Total energy: -180.463268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.463268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.463268 (E_RNA)
where:
Base-Base interactions energy: -109.322
where: short stacking energy: -54.862
Base-Backbone interact. energy: -0.167
local terms energy: -70.973606
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -16.069
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -99.727228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.727228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.727228 (E_RNA)
where:
Base-Base interactions energy: -46.992
where: short stacking energy: -46.992
Base-Backbone interact. energy: -0.100
local terms energy: -52.635643
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -8.871
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: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -99.983577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.983577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.983577 (E_RNA)
where:
Base-Base interactions energy: -59.578
where: short stacking energy: -27.886
Base-Backbone interact. energy: -0.748
local terms energy: -39.657148
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -0.603
tors. eta vs tors. theta energy: 3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -80.210160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.210160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.210160 (E_RNA)
where:
Base-Base interactions energy: -24.415
where: short stacking energy: -19.440
Base-Backbone interact. energy: -0.224
local terms energy: -55.571276
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: 3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -86.063839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.063839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.063839 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.203
local terms energy: -58.128424
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -6.269
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: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -263.496523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.496523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.496523 (E_RNA)
where:
Base-Base interactions energy: -175.264
where: short stacking energy: -72.839
Base-Backbone interact. energy: -1.118
local terms energy: -87.115223
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -220.010497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.010497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.010497 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -54.100
Base-Backbone interact. energy: 0.321
local terms energy: -83.036777
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -223.415259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.415259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.415259 (E_RNA)
where:
Base-Base interactions energy: -141.880
where: short stacking energy: -79.101
Base-Backbone interact. energy: -0.168
local terms energy: -81.366647
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -23.138
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: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -208.303204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303204 (E_RNA)
where:
Base-Base interactions energy: -124.067
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.005
local terms energy: -84.231446
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -23.095
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: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -196.327008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.327008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.327008 (E_RNA)
where:
Base-Base interactions energy: -120.506
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.779
local terms energy: -75.041762
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -15.188
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: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -169.602875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.602875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.602875 (E_RNA)
where:
Base-Base interactions energy: -102.292
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.271
local terms energy: -67.039485
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -95.539567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.539567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.539567 (E_RNA)
where:
Base-Base interactions energy: -40.358
where: short stacking energy: -22.614
Base-Backbone interact. energy: -0.180
local terms energy: -55.001612
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -8.501
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: 247
Temperature: 1.250000
Total energy: -96.609187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.609187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.609187 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -26.725
Base-Backbone interact. energy: 0.407
local terms energy: -49.488807
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -5.008
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: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -88.713089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.713089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.713089 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.091
local terms energy: -55.935667
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -80.416150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.416150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.416150 (E_RNA)
where:
Base-Base interactions energy: -27.916
where: short stacking energy: -18.424
Base-Backbone interact. energy: -1.087
local terms energy: -51.413809
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -270.646843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.646843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.646843 (E_RNA)
where:
Base-Base interactions energy: -181.137
where: short stacking energy: -70.591
Base-Backbone interact. energy: -0.203
local terms energy: -89.306925
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -226.956281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.956281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.956281 (E_RNA)
where:
Base-Base interactions energy: -147.882
where: short stacking energy: -79.067
Base-Backbone interact. energy: 1.012
local terms energy: -80.086387
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -218.275813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.275813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.275813 (E_RNA)
where:
Base-Base interactions energy: -138.313
where: short stacking energy: -70.095
Base-Backbone interact. energy: -0.018
local terms energy: -79.945604
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -225.397106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.397106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.397106 (E_RNA)
where:
Base-Base interactions energy: -140.366
where: short stacking energy: -79.123
Base-Backbone interact. energy: -0.003
local terms energy: -85.027655
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -192.242603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.242603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.242603 (E_RNA)
where:
Base-Base interactions energy: -124.086
where: short stacking energy: -60.566
Base-Backbone interact. energy: -0.118
local terms energy: -68.038182
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -201.912201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.912201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.912201 (E_RNA)
where:
Base-Base interactions energy: -129.284
where: short stacking energy: -62.154
Base-Backbone interact. energy: -1.247
local terms energy: -71.381005
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -17.442
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: 248
Temperature: 1.200000
Total energy: -156.316401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.316401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.316401 (E_RNA)
where:
Base-Base interactions energy: -94.968
where: short stacking energy: -46.863
Base-Backbone interact. energy: 4.298
local terms energy: -65.646656
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -87.202438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202438 (E_RNA)
where:
Base-Base interactions energy: -32.918
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.247
local terms energy: -54.037534
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: 3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -89.141091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.141091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.141091 (E_RNA)
where:
Base-Base interactions energy: -32.368
where: short stacking energy: -26.745
Base-Backbone interact. energy: 0.118
local terms energy: -56.891110
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -85.883976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.883976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.883976 (E_RNA)
where:
Base-Base interactions energy: -25.245
where: short stacking energy: -23.999
Base-Backbone interact. energy: -0.195
local terms energy: -60.443603
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.912
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: 249
Temperature: 0.900000
Total energy: -262.679418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.679418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.679418 (E_RNA)
where:
Base-Base interactions energy: -177.875
where: short stacking energy: -70.845
Base-Backbone interact. energy: -0.408
local terms energy: -84.395848
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -216.538901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.538901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.538901 (E_RNA)
where:
Base-Base interactions energy: -136.964
where: short stacking energy: -67.586
Base-Backbone interact. energy: -1.197
local terms energy: -78.377601
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -15.486
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: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -207.716184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.716184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.716184 (E_RNA)
where:
Base-Base interactions energy: -128.455
where: short stacking energy: -58.950
Base-Backbone interact. energy: -0.052
local terms energy: -79.209546
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -216.917099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.917099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917099 (E_RNA)
where:
Base-Base interactions energy: -136.062
where: short stacking energy: -55.712
Base-Backbone interact. energy: -0.145
local terms energy: -80.710090
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -14.425
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: 249
Temperature: 1.100000
Total energy: -209.265775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.265775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.265775 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.001
local terms energy: -76.901048
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -196.731513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.731513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.731513 (E_RNA)
where:
Base-Base interactions energy: -129.498
where: short stacking energy: -54.258
Base-Backbone interact. energy: -0.293
local terms energy: -66.940309
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -166.376692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.376692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.376692 (E_RNA)
where:
Base-Base interactions energy: -94.437
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.084
local terms energy: -71.855662
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -90.910160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.910160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.910160 (E_RNA)
where:
Base-Base interactions energy: -31.056
where: short stacking energy: -28.379
Base-Backbone interact. energy: -0.185
local terms energy: -59.669165
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -8.823
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: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -80.758378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758378 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -24.419
Base-Backbone interact. energy: -0.252
local terms energy: -50.160850
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: 4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -85.212050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212050 (E_RNA)
where:
Base-Base interactions energy: -29.577
where: short stacking energy: -23.162
Base-Backbone interact. energy: -1.033
local terms energy: -54.602010
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -262.891279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.891279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.891279 (E_RNA)
where:
Base-Base interactions energy: -178.311
where: short stacking energy: -70.031
Base-Backbone interact. energy: -0.668
local terms energy: -83.912455
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -18.484
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: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -198.741764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.741764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.741764 (E_RNA)
where:
Base-Base interactions energy: -125.008
where: short stacking energy: -63.817
Base-Backbone interact. energy: -1.244
local terms energy: -72.489336
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -17.637
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -220.958632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.958632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.958632 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.147
local terms energy: -75.343376
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -20.224
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: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -230.831360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.831360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.831360 (E_RNA)
where:
Base-Base interactions energy: -150.177
where: short stacking energy: -77.968
Base-Backbone interact. energy: 0.650
local terms energy: -81.304968
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -179.080286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.080286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.080286 (E_RNA)
where:
Base-Base interactions energy: -109.668
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.058
local terms energy: -69.353938
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -11.877
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -214.990647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.990647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.990647 (E_RNA)
where:
Base-Base interactions energy: -141.813
where: short stacking energy: -52.227
Base-Backbone interact. energy: -0.138
local terms energy: -73.039472
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -161.320605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.320605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.320605 (E_RNA)
where:
Base-Base interactions energy: -93.549
where: short stacking energy: -42.972
Base-Backbone interact. energy: 0.088
local terms energy: -67.859212
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -9.066
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: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -95.555068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555068 (E_RNA)
where:
Base-Base interactions energy: -30.261
where: short stacking energy: -26.395
Base-Backbone interact. energy: -0.109
local terms energy: -65.184450
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -91.613036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.613036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.613036 (E_RNA)
where:
Base-Base interactions energy: -49.510
where: short stacking energy: -20.184
Base-Backbone interact. energy: 0.365
local terms energy: -42.467769
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -6.594
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -98.336299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.336299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.336299 (E_RNA)
where:
Base-Base interactions energy: -41.257
where: short stacking energy: -41.257
Base-Backbone interact. energy: -0.257
local terms energy: -56.822107
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -7.050
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: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -264.352438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.352438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.352438 (E_RNA)
where:
Base-Base interactions energy: -184.950
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.494
local terms energy: -78.908467
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -219.399040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.399040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.399040 (E_RNA)
where:
Base-Base interactions energy: -138.033
where: short stacking energy: -69.482
Base-Backbone interact. energy: -0.025
local terms energy: -81.341723
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -213.037391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.037391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.037391 (E_RNA)
where:
Base-Base interactions energy: -131.435
where: short stacking energy: -73.933
Base-Backbone interact. energy: -1.217
local terms energy: -80.384934
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -201.536388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.536388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.536388 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -48.521
Base-Backbone interact. energy: -0.958
local terms energy: -69.136681
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.639
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: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -189.739137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.739137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.739137 (E_RNA)
where:
Base-Base interactions energy: -120.873
where: short stacking energy: -47.302
Base-Backbone interact. energy: -0.536
local terms energy: -68.330436
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -167.992403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.992403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.992403 (E_RNA)
where:
Base-Base interactions energy: -97.841
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.184
local terms energy: -69.967306
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -195.200611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.200611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.200611 (E_RNA)
where:
Base-Base interactions energy: -134.467
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.003
local terms energy: -60.730513
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -0.953
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -85.945197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945197 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -19.378
Base-Backbone interact. energy: -0.320
local terms energy: -55.793257
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: 4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -88.622233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.622233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.622233 (E_RNA)
where:
Base-Base interactions energy: -27.546
where: short stacking energy: -24.593
Base-Backbone interact. energy: 0.418
local terms energy: -61.494417
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -4.218
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -87.837290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.837290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.837290 (E_RNA)
where:
Base-Base interactions energy: -32.617
where: short stacking energy: -32.617
Base-Backbone interact. energy: -0.146
local terms energy: -55.074093
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -259.885780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.885780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.885780 (E_RNA)
where:
Base-Base interactions energy: -183.940
where: short stacking energy: -64.106
Base-Backbone interact. energy: -1.197
local terms energy: -74.748197
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -214.464783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464783 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.010
local terms energy: -76.889953
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -19.718
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: 252
Temperature: 1.000000
Total energy: -217.037342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.037342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.037342 (E_RNA)
where:
Base-Base interactions energy: -140.060
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.620
local terms energy: -76.357774
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -12.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -216.719202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.719202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.719202 (E_RNA)
where:
Base-Base interactions energy: -135.830
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.009
local terms energy: -80.880007
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -194.336964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.336964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.336964 (E_RNA)
where:
Base-Base interactions energy: -119.571
where: short stacking energy: -60.182
Base-Backbone interact. energy: -0.083
local terms energy: -74.683095
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -168.632518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.632518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.632518 (E_RNA)
where:
Base-Base interactions energy: -100.559
where: short stacking energy: -55.522
Base-Backbone interact. energy: -0.105
local terms energy: -67.968621
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -182.515686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.515686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.515686 (E_RNA)
where:
Base-Base interactions energy: -108.540
where: short stacking energy: -50.563
Base-Backbone interact. energy: -0.468
local terms energy: -73.507291
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -85.630737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.630737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.630737 (E_RNA)
where:
Base-Base interactions energy: -24.523
where: short stacking energy: -21.290
Base-Backbone interact. energy: 0.021
local terms energy: -61.129101
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -79.874515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.874515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.874515 (E_RNA)
where:
Base-Base interactions energy: -22.112
where: short stacking energy: -22.112
Base-Backbone interact. energy: -0.204
local terms energy: -57.558223
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: 0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -96.437268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.437268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.437268 (E_RNA)
where:
Base-Base interactions energy: -34.617
where: short stacking energy: -34.135
Base-Backbone interact. energy: -0.365
local terms energy: -61.455564
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -263.436854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.436854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.436854 (E_RNA)
where:
Base-Base interactions energy: -178.406
where: short stacking energy: -70.867
Base-Backbone interact. energy: 0.706
local terms energy: -85.736276
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -20.059
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: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -221.572504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.572504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.572504 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.237
local terms energy: -75.389970
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -19.402
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -205.292876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.292876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.292876 (E_RNA)
where:
Base-Base interactions energy: -129.093
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.197
local terms energy: -76.002546
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -17.790
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: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -211.846334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846334 (E_RNA)
where:
Base-Base interactions energy: -135.730
where: short stacking energy: -62.601
Base-Backbone interact. energy: -0.129
local terms energy: -75.988003
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -22.961
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: 253
Temperature: 1.100000
Total energy: -193.514643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.514643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.514643 (E_RNA)
where:
Base-Base interactions energy: -114.854
where: short stacking energy: -53.628
Base-Backbone interact. energy: -0.084
local terms energy: -78.576505
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -15.095
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: 253
Temperature: 1.150000
Total energy: -194.492446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.492446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.492446 (E_RNA)
where:
Base-Base interactions energy: -118.563
where: short stacking energy: -61.669
Base-Backbone interact. energy: -0.060
local terms energy: -75.868855
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -164.708792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.708792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.708792 (E_RNA)
where:
Base-Base interactions energy: -97.272
where: short stacking energy: -48.604
Base-Backbone interact. energy: -0.040
local terms energy: -67.396394
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -94.980156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.980156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.980156 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.076
local terms energy: -63.649127
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -8.973
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: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -95.941932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.941932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.941932 (E_RNA)
where:
Base-Base interactions energy: -43.242
where: short stacking energy: -27.263
Base-Backbone interact. energy: -0.091
local terms energy: -52.608589
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -76.078021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.078021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.078021 (E_RNA)
where:
Base-Base interactions energy: -23.012
where: short stacking energy: -20.699
Base-Backbone interact. energy: -0.455
local terms energy: -52.611658
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -2.676
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -258.384684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.384684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.384684 (E_RNA)
where:
Base-Base interactions energy: -172.713
where: short stacking energy: -61.444
Base-Backbone interact. energy: -0.433
local terms energy: -85.238428
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -20.642
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: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -217.177219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.177219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.177219 (E_RNA)
where:
Base-Base interactions energy: -142.614
where: short stacking energy: -66.558
Base-Backbone interact. energy: -0.083
local terms energy: -74.479819
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -220.224807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.224807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.224807 (E_RNA)
where:
Base-Base interactions energy: -137.061
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.076
local terms energy: -83.088006
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -201.246326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.246326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.246326 (E_RNA)
where:
Base-Base interactions energy: -125.983
where: short stacking energy: -60.669
Base-Backbone interact. energy: 0.502
local terms energy: -75.764921
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -12.895
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: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -195.876099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.876099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.876099 (E_RNA)
where:
Base-Base interactions energy: -117.652
where: short stacking energy: -50.742
Base-Backbone interact. energy: -0.021
local terms energy: -78.202793
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -177.666132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.666132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.666132 (E_RNA)
where:
Base-Base interactions energy: -113.187
where: short stacking energy: -47.340
Base-Backbone interact. energy: -0.125
local terms energy: -64.353851
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -11.768
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: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -172.590242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.590242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.590242 (E_RNA)
where:
Base-Base interactions energy: -106.596
where: short stacking energy: -60.101
Base-Backbone interact. energy: -0.030
local terms energy: -65.965142
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -116.392484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.392484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.392484 (E_RNA)
where:
Base-Base interactions energy: -66.719
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.200
local terms energy: -49.474010
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -91.478273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.478273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.478273 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -32.392
Base-Backbone interact. energy: 0.723
local terms energy: -55.719758
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -89.087645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.087645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.087645 (E_RNA)
where:
Base-Base interactions energy: -31.159
where: short stacking energy: -28.330
Base-Backbone interact. energy: -0.195
local terms energy: -57.733112
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -264.107599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.107599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.107599 (E_RNA)
where:
Base-Base interactions energy: -177.230
where: short stacking energy: -74.365
Base-Backbone interact. energy: -2.146
local terms energy: -84.731518
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -229.137016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.137016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.137016 (E_RNA)
where:
Base-Base interactions energy: -146.411
where: short stacking energy: -79.349
Base-Backbone interact. energy: -0.530
local terms energy: -82.196634
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -218.658985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.658985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.658985 (E_RNA)
where:
Base-Base interactions energy: -135.097
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.133
local terms energy: -83.429007
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -182.073277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.073277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.073277 (E_RNA)
where:
Base-Base interactions energy: -107.104
where: short stacking energy: -52.521
Base-Backbone interact. energy: 0.548
local terms energy: -75.516629
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -12.096
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: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -184.936360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.936360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.936360 (E_RNA)
where:
Base-Base interactions energy: -116.062
where: short stacking energy: -56.663
Base-Backbone interact. energy: -0.697
local terms energy: -68.177746
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -172.173860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.173860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.173860 (E_RNA)
where:
Base-Base interactions energy: -104.551
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.014
local terms energy: -67.608689
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -13.876
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: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -176.920074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.920074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.920074 (E_RNA)
where:
Base-Base interactions energy: -112.482
where: short stacking energy: -46.983
Base-Backbone interact. energy: 0.074
local terms energy: -64.512056
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.236
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: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -79.220121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.220121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.220121 (E_RNA)
where:
Base-Base interactions energy: -26.192
where: short stacking energy: -26.192
Base-Backbone interact. energy: -0.091
local terms energy: -52.936326
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -2.241
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: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -94.985889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.985889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.985889 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -33.851
Base-Backbone interact. energy: 0.061
local terms energy: -57.958696
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -4.646
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: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -83.100426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.100426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.100426 (E_RNA)
where:
Base-Base interactions energy: -25.037
where: short stacking energy: -14.869
Base-Backbone interact. energy: -0.234
local terms energy: -57.829306
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: 0.453
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: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -250.810038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.810038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.810038 (E_RNA)
where:
Base-Base interactions energy: -165.060
where: short stacking energy: -65.614
Base-Backbone interact. energy: 0.884
local terms energy: -86.634006
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -23.974
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: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -240.987009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.987009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.987009 (E_RNA)
where:
Base-Base interactions energy: -155.860
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.116
local terms energy: -85.011205
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -17.462
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -216.656323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.656323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.656323 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.020
local terms energy: -74.987289
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -190.547220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.547220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.547220 (E_RNA)
where:
Base-Base interactions energy: -114.132
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.004
local terms energy: -76.411365
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -185.261615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.261615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.261615 (E_RNA)
where:
Base-Base interactions energy: -120.316
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.481
local terms energy: -64.465372
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -185.972715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972715 (E_RNA)
where:
Base-Base interactions energy: -102.953
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.111
local terms energy: -82.909244
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -185.921905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.921905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.921905 (E_RNA)
where:
Base-Base interactions energy: -122.191
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.058
local terms energy: -63.672311
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -91.585725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.585725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.585725 (E_RNA)
where:
Base-Base interactions energy: -33.493
where: short stacking energy: -33.050
Base-Backbone interact. energy: -0.125
local terms energy: -57.967322
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -6.061
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: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -82.362620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.362620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.362620 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -15.479
Base-Backbone interact. energy: -0.320
local terms energy: -55.197099
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -0.860
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: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -90.514155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.514155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.514155 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -42.265
Base-Backbone interact. energy: -0.035
local terms energy: -46.322584
where:
bonds (distance) C4'-P energy: -9.236
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -10.155
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: 257
Temperature: 0.900000
Total energy: -260.702268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.702268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.702268 (E_RNA)
where:
Base-Base interactions energy: -176.051
where: short stacking energy: -71.943
Base-Backbone interact. energy: -2.139
local terms energy: -82.512619
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -227.577281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.577281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.577281 (E_RNA)
where:
Base-Base interactions energy: -142.225
where: short stacking energy: -63.147
Base-Backbone interact. energy: -0.088
local terms energy: -85.263571
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -225.502154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.502154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.502154 (E_RNA)
where:
Base-Base interactions energy: -137.431
where: short stacking energy: -64.539
Base-Backbone interact. energy: -0.009
local terms energy: -88.062717
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -179.572159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.572159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.572159 (E_RNA)
where:
Base-Base interactions energy: -119.797
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.249
local terms energy: -59.525510
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -189.894689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.894689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.894689 (E_RNA)
where:
Base-Base interactions energy: -109.310
where: short stacking energy: -58.763
Base-Backbone interact. energy: 0.356
local terms energy: -80.940404
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -194.953608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.953608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.953608 (E_RNA)
where:
Base-Base interactions energy: -121.569
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.050
local terms energy: -73.334623
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -17.276
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: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -168.798263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.798263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.798263 (E_RNA)
where:
Base-Base interactions energy: -90.854
where: short stacking energy: -48.584
Base-Backbone interact. energy: -0.025
local terms energy: -77.919055
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -9.870
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: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -102.808297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.808297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.808297 (E_RNA)
where:
Base-Base interactions energy: -57.906
where: short stacking energy: -27.944
Base-Backbone interact. energy: 1.656
local terms energy: -46.558749
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: 1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -87.469588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.469588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.469588 (E_RNA)
where:
Base-Base interactions energy: -34.659
where: short stacking energy: -22.598
Base-Backbone interact. energy: 0.909
local terms energy: -53.719752
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: 1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -76.402481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.402481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.402481 (E_RNA)
where:
Base-Base interactions energy: -21.469
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.300
local terms energy: -54.633589
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -254.622831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.622831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.622831 (E_RNA)
where:
Base-Base interactions energy: -173.684
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.105
local terms energy: -80.832982
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -225.543460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.543460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.543460 (E_RNA)
where:
Base-Base interactions energy: -149.135
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.099
local terms energy: -76.308718
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -201.097907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.097907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.097907 (E_RNA)
where:
Base-Base interactions energy: -126.266
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.805
local terms energy: -74.027053
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -8.580
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: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -213.295758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.295758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.295758 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.126
local terms energy: -70.558085
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -203.582535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.582535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.582535 (E_RNA)
where:
Base-Base interactions energy: -124.589
where: short stacking energy: -53.127
Base-Backbone interact. energy: -1.383
local terms energy: -77.611090
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -13.650
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: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -185.488607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.488607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.488607 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -54.557
Base-Backbone interact. energy: -0.398
local terms energy: -63.202837
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -11.129
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: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -178.456085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.456085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.456085 (E_RNA)
where:
Base-Base interactions energy: -106.844
where: short stacking energy: -55.258
Base-Backbone interact. energy: -0.121
local terms energy: -71.491337
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -16.457
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: 258
Temperature: 1.250000
Total energy: -93.450571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.450571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.450571 (E_RNA)
where:
Base-Base interactions energy: -30.989
where: short stacking energy: -28.714
Base-Backbone interact. energy: -0.145
local terms energy: -62.316759
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -98.254095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.254095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.254095 (E_RNA)
where:
Base-Base interactions energy: -51.064
where: short stacking energy: -24.506
Base-Backbone interact. energy: -0.541
local terms energy: -46.648805
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: 2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -79.728766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.728766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.728766 (E_RNA)
where:
Base-Base interactions energy: -27.254
where: short stacking energy: -17.914
Base-Backbone interact. energy: -0.223
local terms energy: -52.251716
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -8.363
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: 1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -250.645152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.645152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.645152 (E_RNA)
where:
Base-Base interactions energy: -170.286
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.310
local terms energy: -80.049323
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -218.305202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.305202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.305202 (E_RNA)
where:
Base-Base interactions energy: -140.022
where: short stacking energy: -57.151
Base-Backbone interact. energy: -0.082
local terms energy: -78.201394
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -211.401267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.401267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.401267 (E_RNA)
where:
Base-Base interactions energy: -139.919
where: short stacking energy: -67.361
Base-Backbone interact. energy: 0.282
local terms energy: -71.764137
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -220.298216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.298216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.298216 (E_RNA)
where:
Base-Base interactions energy: -141.892
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.005
local terms energy: -78.401058
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -204.854831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.854831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.854831 (E_RNA)
where:
Base-Base interactions energy: -129.429
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.644
local terms energy: -74.782192
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -178.159867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.159867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.159867 (E_RNA)
where:
Base-Base interactions energy: -109.297
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.547
local terms energy: -68.315647
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -105.159542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.159542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.159542 (E_RNA)
where:
Base-Base interactions energy: -51.788
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.421
local terms energy: -52.950036
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: 4.981
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: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -91.020165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.020165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.020165 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -23.582
Base-Backbone interact. energy: -0.878
local terms energy: -56.051800
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -97.967051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.967051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.967051 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.603
local terms energy: -60.139814
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -80.413200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.413200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.413200 (E_RNA)
where:
Base-Base interactions energy: -27.692
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.223
local terms energy: -52.499051
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: 1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -262.440144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.440144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.440144 (E_RNA)
where:
Base-Base interactions energy: -181.028
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.151
local terms energy: -81.261401
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -215.339813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.339813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.339813 (E_RNA)
where:
Base-Base interactions energy: -141.670
where: short stacking energy: -63.064
Base-Backbone interact. energy: -0.146
local terms energy: -73.523902
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -221.627664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.627664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.627664 (E_RNA)
where:
Base-Base interactions energy: -146.230
where: short stacking energy: -62.110
Base-Backbone interact. energy: 0.575
local terms energy: -75.973168
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -14.205
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -198.971757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.971757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.971757 (E_RNA)
where:
Base-Base interactions energy: -123.328
where: short stacking energy: -54.208
Base-Backbone interact. energy: -0.309
local terms energy: -75.334014
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -11.634
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: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -202.849847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.849847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.849847 (E_RNA)
where:
Base-Base interactions energy: -126.816
where: short stacking energy: -61.407
Base-Backbone interact. energy: -0.031
local terms energy: -76.002292
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -183.320881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.320881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.320881 (E_RNA)
where:
Base-Base interactions energy: -115.136
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.625
local terms energy: -67.559024
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -90.251062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.251062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.251062 (E_RNA)
where:
Base-Base interactions energy: -28.534
where: short stacking energy: -28.050
Base-Backbone interact. energy: -0.087
local terms energy: -61.630167
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -81.532003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.532003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.532003 (E_RNA)
where:
Base-Base interactions energy: -26.347
where: short stacking energy: -25.501
Base-Backbone interact. energy: -0.005
local terms energy: -55.179914
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -82.337678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.337678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.337678 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -28.098
Base-Backbone interact. energy: 0.147
local terms energy: -53.001825
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -80.161546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.161546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.161546 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.099
local terms energy: -49.504124
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -6.185
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: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -249.828575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.828575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.828575 (E_RNA)
where:
Base-Base interactions energy: -168.384
where: short stacking energy: -65.866
Base-Backbone interact. energy: -0.102
local terms energy: -81.342348
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -216.449457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449457 (E_RNA)
where:
Base-Base interactions energy: -127.310
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.578
local terms energy: -88.561295
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -198.041667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.041667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.041667 (E_RNA)
where:
Base-Base interactions energy: -123.219
where: short stacking energy: -57.590
Base-Backbone interact. energy: -1.075
local terms energy: -73.748402
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -12.399
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: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -211.076933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076933 (E_RNA)
where:
Base-Base interactions energy: -138.732
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.085
local terms energy: -72.259631
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -184.742690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.742690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.742690 (E_RNA)
where:
Base-Base interactions energy: -113.955
where: short stacking energy: -53.094
Base-Backbone interact. energy: -0.793
local terms energy: -69.995483
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -195.022324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.022324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.022324 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -56.088
Base-Backbone interact. energy: -0.019
local terms energy: -75.485604
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -89.582106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582106 (E_RNA)
where:
Base-Base interactions energy: -40.984
where: short stacking energy: -38.138
Base-Backbone interact. energy: 0.005
local terms energy: -48.602331
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -3.883
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: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -91.060162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.060162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.060162 (E_RNA)
where:
Base-Base interactions energy: -42.679
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.103
local terms energy: -48.278816
where:
bonds (distance) C4'-P energy: -7.132
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -97.124326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.124326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.124326 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -25.896
Base-Backbone interact. energy: -0.127
local terms energy: -59.334701
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.957
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: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -91.370681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.370681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.370681 (E_RNA)
where:
Base-Base interactions energy: -28.328
where: short stacking energy: -22.373
Base-Backbone interact. energy: -0.003
local terms energy: -63.038987
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -3.088
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: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -258.672432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.672432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.672432 (E_RNA)
where:
Base-Base interactions energy: -170.542
where: short stacking energy: -75.894
Base-Backbone interact. energy: -1.220
local terms energy: -86.910313
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -222.558297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.558297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.558297 (E_RNA)
where:
Base-Base interactions energy: -137.567
where: short stacking energy: -75.313
Base-Backbone interact. energy: -0.013
local terms energy: -84.978491
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -198.426200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.426200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.426200 (E_RNA)
where:
Base-Base interactions energy: -123.449
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.050
local terms energy: -74.926792
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -195.644729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.644729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.644729 (E_RNA)
where:
Base-Base interactions energy: -121.043
where: short stacking energy: -64.659
Base-Backbone interact. energy: 0.097
local terms energy: -74.698567
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -204.746187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.746187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.746187 (E_RNA)
where:
Base-Base interactions energy: -133.323
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.086
local terms energy: -71.336421
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -187.579701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.579701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.579701 (E_RNA)
where:
Base-Base interactions energy: -114.792
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.272
local terms energy: -72.515590
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -101.255852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.255852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.255852 (E_RNA)
where:
Base-Base interactions energy: -43.752
where: short stacking energy: -35.227
Base-Backbone interact. energy: 1.289
local terms energy: -58.793140
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -92.705651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.705651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.705651 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -18.629
Base-Backbone interact. energy: -0.182
local terms energy: -55.341411
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -87.539092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.539092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.539092 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.044
local terms energy: -53.157890
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -5.528
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -88.145729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.145729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.145729 (E_RNA)
where:
Base-Base interactions energy: -39.472
where: short stacking energy: -21.258
Base-Backbone interact. energy: -0.074
local terms energy: -48.599942
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -249.294107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.294107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.294107 (E_RNA)
where:
Base-Base interactions energy: -158.854
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.418
local terms energy: -90.022089
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -210.426772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.426772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.426772 (E_RNA)
where:
Base-Base interactions energy: -126.044
where: short stacking energy: -69.779
Base-Backbone interact. energy: 0.737
local terms energy: -85.119941
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -215.778229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.778229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.778229 (E_RNA)
where:
Base-Base interactions energy: -143.294
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.033
local terms energy: -72.451144
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -16.339
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: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -226.849878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.849878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.849878 (E_RNA)
where:
Base-Base interactions energy: -149.924
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.015
local terms energy: -76.911438
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -16.307
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: 263
Temperature: 1.100000
Total energy: -208.110100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.110100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.110100 (E_RNA)
where:
Base-Base interactions energy: -134.829
where: short stacking energy: -62.486
Base-Backbone interact. energy: -0.066
local terms energy: -73.214961
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -168.918618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.918618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.918618 (E_RNA)
where:
Base-Base interactions energy: -103.084
where: short stacking energy: -40.577
Base-Backbone interact. energy: -0.098
local terms energy: -65.736666
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -137.240994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.240994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.240994 (E_RNA)
where:
Base-Base interactions energy: -86.025
where: short stacking energy: -42.266
Base-Backbone interact. energy: 0.437
local terms energy: -51.652616
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -87.538381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.538381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.538381 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -30.724
Base-Backbone interact. energy: -0.300
local terms energy: -55.710656
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -7.860
flat angles P-C4'-P energy: -8.787
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: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -80.617274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.617274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.617274 (E_RNA)
where:
Base-Base interactions energy: -31.654
where: short stacking energy: -31.754
Base-Backbone interact. energy: -0.114
local terms energy: -48.849474
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -81.280376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.280376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.280376 (E_RNA)
where:
Base-Base interactions energy: -22.663
where: short stacking energy: -9.796
Base-Backbone interact. energy: -0.520
local terms energy: -58.097236
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: 1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -229.907490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.907490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.907490 (E_RNA)
where:
Base-Base interactions energy: -145.493
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.672
local terms energy: -83.742132
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -259.503635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.503635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.503635 (E_RNA)
where:
Base-Base interactions energy: -179.275
where: short stacking energy: -73.658
Base-Backbone interact. energy: -0.385
local terms energy: -79.843845
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -238.455703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.455703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.455703 (E_RNA)
where:
Base-Base interactions energy: -153.698
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.008
local terms energy: -84.749928
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -217.266241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.266241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.266241 (E_RNA)
where:
Base-Base interactions energy: -136.416
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.583
local terms energy: -80.267355
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -197.540404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.540404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.540404 (E_RNA)
where:
Base-Base interactions energy: -125.154
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.339
local terms energy: -72.047360
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -196.353928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.353928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.353928 (E_RNA)
where:
Base-Base interactions energy: -119.882
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.223
local terms energy: -76.249394
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -110.416435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.416435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.416435 (E_RNA)
where:
Base-Base interactions energy: -53.772
where: short stacking energy: -47.759
Base-Backbone interact. energy: -2.000
local terms energy: -54.645248
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -9.934
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: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -90.042641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.042641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.042641 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -30.242
Base-Backbone interact. energy: 0.183
local terms energy: -57.088395
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -92.978452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.978452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.978452 (E_RNA)
where:
Base-Base interactions energy: -43.848
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.284
local terms energy: -48.845740
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: 0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -86.278574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.278574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.278574 (E_RNA)
where:
Base-Base interactions energy: -32.864
where: short stacking energy: -23.734
Base-Backbone interact. energy: 1.265
local terms energy: -54.680246
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -7.636
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -230.728900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.728900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.728900 (E_RNA)
where:
Base-Base interactions energy: -151.979
where: short stacking energy: -68.139
Base-Backbone interact. energy: 0.275
local terms energy: -79.024990
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -22.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -248.508722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.508722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.508722 (E_RNA)
where:
Base-Base interactions energy: -164.251
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.461
local terms energy: -83.796791
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -224.271515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.271515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.271515 (E_RNA)
where:
Base-Base interactions energy: -142.451
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.352
local terms energy: -81.468598
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -210.220082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.220082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.220082 (E_RNA)
where:
Base-Base interactions energy: -133.301
where: short stacking energy: -63.379
Base-Backbone interact. energy: -0.042
local terms energy: -76.877356
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -15.961
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: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -196.604658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.604658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.604658 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.448
local terms energy: -70.512797
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -195.295404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.295404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.295404 (E_RNA)
where:
Base-Base interactions energy: -124.174
where: short stacking energy: -54.993
Base-Backbone interact. energy: -0.035
local terms energy: -71.087209
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -18.513
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: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -99.814733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.814733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.814733 (E_RNA)
where:
Base-Base interactions energy: -49.393
where: short stacking energy: -34.148
Base-Backbone interact. energy: -0.178
local terms energy: -50.243948
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -90.502592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.502592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.502592 (E_RNA)
where:
Base-Base interactions energy: -35.460
where: short stacking energy: -31.723
Base-Backbone interact. energy: 1.187
local terms energy: -56.229737
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -12.513
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -83.500527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.500527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.500527 (E_RNA)
where:
Base-Base interactions energy: -29.654
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.198
local terms energy: -53.648625
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -83.914612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.914612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.914612 (E_RNA)
where:
Base-Base interactions energy: -33.037
where: short stacking energy: -20.332
Base-Backbone interact. energy: -0.419
local terms energy: -50.458118
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: 3.017
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -260.577331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.577331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.577331 (E_RNA)
where:
Base-Base interactions energy: -176.588
where: short stacking energy: -73.989
Base-Backbone interact. energy: -2.560
local terms energy: -81.428959
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -239.796770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.796770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.796770 (E_RNA)
where:
Base-Base interactions energy: -163.307
where: short stacking energy: -60.577
Base-Backbone interact. energy: -1.533
local terms energy: -74.956628
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -15.845
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: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -216.792502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.792502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.792502 (E_RNA)
where:
Base-Base interactions energy: -132.661
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.002
local terms energy: -84.129630
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -214.065313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.065313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.065313 (E_RNA)
where:
Base-Base interactions energy: -134.138
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.091
local terms energy: -79.836239
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -194.739646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.739646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.739646 (E_RNA)
where:
Base-Base interactions energy: -126.938
where: short stacking energy: -49.289
Base-Backbone interact. energy: -0.162
local terms energy: -67.640337
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -9.518
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: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -190.338486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.338486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.338486 (E_RNA)
where:
Base-Base interactions energy: -122.902
where: short stacking energy: -57.746
Base-Backbone interact. energy: -0.141
local terms energy: -67.296023
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -9.222
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: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -110.687380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.687380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.687380 (E_RNA)
where:
Base-Base interactions energy: -44.589
where: short stacking energy: -23.472
Base-Backbone interact. energy: -0.152
local terms energy: -65.946172
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -91.371410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.371410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.371410 (E_RNA)
where:
Base-Base interactions energy: -29.891
where: short stacking energy: -24.604
Base-Backbone interact. energy: -0.438
local terms energy: -61.042650
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.949
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: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -79.487785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.487785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.487785 (E_RNA)
where:
Base-Base interactions energy: -23.482
where: short stacking energy: -20.994
Base-Backbone interact. energy: -0.301
local terms energy: -55.704700
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -89.573659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.573659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.573659 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -32.581
Base-Backbone interact. energy: -0.019
local terms energy: -55.295732
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -2.779
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -251.685466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.685466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.685466 (E_RNA)
where:
Base-Base interactions energy: -163.299
where: short stacking energy: -65.021
Base-Backbone interact. energy: -0.733
local terms energy: -87.653566
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -22.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -224.784532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.784532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.784532 (E_RNA)
where:
Base-Base interactions energy: -145.279
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.188
local terms energy: -79.316965
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -207.347860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.347860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.347860 (E_RNA)
where:
Base-Base interactions energy: -131.264
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.085
local terms energy: -75.999183
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -18.179
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: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -212.886417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.886417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.886417 (E_RNA)
where:
Base-Base interactions energy: -135.147
where: short stacking energy: -66.644
Base-Backbone interact. energy: -0.028
local terms energy: -77.710699
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -187.705763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.705763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.705763 (E_RNA)
where:
Base-Base interactions energy: -123.031
where: short stacking energy: -46.363
Base-Backbone interact. energy: -0.241
local terms energy: -64.434511
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -187.314681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.314681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.314681 (E_RNA)
where:
Base-Base interactions energy: -125.297
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.016
local terms energy: -62.002055
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -96.302206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.302206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.302206 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -28.245
Base-Backbone interact. energy: 0.032
local terms energy: -63.393662
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -2.734
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: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -115.801293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.801293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.801293 (E_RNA)
where:
Base-Base interactions energy: -51.577
where: short stacking energy: -31.226
Base-Backbone interact. energy: -0.097
local terms energy: -64.127350
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -5.651
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: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -90.510989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.510989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.510989 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -19.745
Base-Backbone interact. energy: -0.427
local terms energy: -47.889595
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -10.082
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: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -91.206677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.206677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.206677 (E_RNA)
where:
Base-Base interactions energy: -36.027
where: short stacking energy: -28.853
Base-Backbone interact. energy: -0.063
local terms energy: -55.117060
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -254.952569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.952569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.952569 (E_RNA)
where:
Base-Base interactions energy: -167.922
where: short stacking energy: -65.841
Base-Backbone interact. energy: -1.706
local terms energy: -85.323997
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -20.737
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: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -219.439369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.439369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.439369 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -75.422
Base-Backbone interact. energy: -0.156
local terms energy: -82.334620
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -223.525921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.525921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.525921 (E_RNA)
where:
Base-Base interactions energy: -140.233
where: short stacking energy: -59.398
Base-Backbone interact. energy: 0.546
local terms energy: -83.838070
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -17.844
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: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -206.409127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.409127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.409127 (E_RNA)
where:
Base-Base interactions energy: -134.668
where: short stacking energy: -48.339
Base-Backbone interact. energy: -1.921
local terms energy: -69.820463
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -11.168
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -188.609684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.609684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.609684 (E_RNA)
where:
Base-Base interactions energy: -123.032
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.114
local terms energy: -65.463260
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -196.068433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.068433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.068433 (E_RNA)
where:
Base-Base interactions energy: -123.581
where: short stacking energy: -46.591
Base-Backbone interact. energy: -0.069
local terms energy: -72.418292
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -109.616944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.616944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.616944 (E_RNA)
where:
Base-Base interactions energy: -46.851
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.083
local terms energy: -62.682329
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -8.448
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -9.854
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: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -91.737666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.737666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.737666 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -37.311
Base-Backbone interact. energy: -1.069
local terms energy: -53.332465
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.393
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: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -89.328338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328338 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.124
local terms energy: -50.501814
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -81.202276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.202276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.202276 (E_RNA)
where:
Base-Base interactions energy: -36.328
where: short stacking energy: -25.293
Base-Backbone interact. energy: -0.126
local terms energy: -44.749040
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -3.996
flat angles P-C4'-P energy: -8.058
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -253.484581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.484581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.484581 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.432
local terms energy: -82.911870
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -227.867651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.867651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.867651 (E_RNA)
where:
Base-Base interactions energy: -150.353
where: short stacking energy: -67.373
Base-Backbone interact. energy: 0.149
local terms energy: -77.663854
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -14.870
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: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -208.035711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.035711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.035711 (E_RNA)
where:
Base-Base interactions energy: -129.165
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.014
local terms energy: -78.857549
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -203.585750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.585750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.585750 (E_RNA)
where:
Base-Base interactions energy: -125.548
where: short stacking energy: -56.313
Base-Backbone interact. energy: 0.196
local terms energy: -78.232913
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -15.630
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: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -187.594405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.594405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.594405 (E_RNA)
where:
Base-Base interactions energy: -124.114
where: short stacking energy: -45.650
Base-Backbone interact. energy: 0.044
local terms energy: -63.524859
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -203.936056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.936056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.936056 (E_RNA)
where:
Base-Base interactions energy: -128.623
where: short stacking energy: -64.837
Base-Backbone interact. energy: -0.929
local terms energy: -74.383569
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -95.802476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.802476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.802476 (E_RNA)
where:
Base-Base interactions energy: -34.107
where: short stacking energy: -33.855
Base-Backbone interact. energy: -0.300
local terms energy: -61.395634
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -102.398919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.398919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.398919 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.183
local terms energy: -68.132580
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -6.839
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: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -76.433053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.433053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.433053 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -32.408
Base-Backbone interact. energy: -0.316
local terms energy: -44.608680
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -6.207
flat angles P-C4'-P energy: -8.418
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: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -92.999929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999929 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -23.045
Base-Backbone interact. energy: -0.070
local terms energy: -62.374158
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -255.916402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.916402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.916402 (E_RNA)
where:
Base-Base interactions energy: -176.789
where: short stacking energy: -77.609
Base-Backbone interact. energy: -0.591
local terms energy: -78.536938
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -20.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -231.137553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.137553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.137553 (E_RNA)
where:
Base-Base interactions energy: -145.949
where: short stacking energy: -73.846
Base-Backbone interact. energy: -0.419
local terms energy: -84.769600
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -197.803668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.803668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.803668 (E_RNA)
where:
Base-Base interactions energy: -125.484
where: short stacking energy: -57.964
Base-Backbone interact. energy: 0.185
local terms energy: -72.504729
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -12.845
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: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -209.205571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.205571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.205571 (E_RNA)
where:
Base-Base interactions energy: -130.706
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.020
local terms energy: -78.479763
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -216.409406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.409406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.409406 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -57.053
Base-Backbone interact. energy: 0.673
local terms energy: -82.769035
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -193.848888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.848888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.848888 (E_RNA)
where:
Base-Base interactions energy: -115.425
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.050
local terms energy: -78.374249
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -99.098414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.098414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.098414 (E_RNA)
where:
Base-Base interactions energy: -42.208
where: short stacking energy: -24.175
Base-Backbone interact. energy: -0.678
local terms energy: -56.211902
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -88.927474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927474 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -31.370
Base-Backbone interact. energy: 1.637
local terms energy: -54.945814
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -1.401
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: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -93.271760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.271760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.271760 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -36.609
Base-Backbone interact. energy: 0.742
local terms energy: -53.670010
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -4.290
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -93.207820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.207820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.207820 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.439
local terms energy: -58.678092
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -255.049315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.049315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.049315 (E_RNA)
where:
Base-Base interactions energy: -171.306
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.042
local terms energy: -83.702150
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -20.150
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: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -224.399838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.399838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.399838 (E_RNA)
where:
Base-Base interactions energy: -151.093
where: short stacking energy: -74.661
Base-Backbone interact. energy: -0.174
local terms energy: -73.133371
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -226.618494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.618494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.618494 (E_RNA)
where:
Base-Base interactions energy: -157.357
where: short stacking energy: -67.749
Base-Backbone interact. energy: -0.026
local terms energy: -69.235551
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -204.332157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.332157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.332157 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -64.644
Base-Backbone interact. energy: -1.436
local terms energy: -76.248028
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -212.486232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.486232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.486232 (E_RNA)
where:
Base-Base interactions energy: -128.894
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.404
local terms energy: -83.188577
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -187.803616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.803616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.803616 (E_RNA)
where:
Base-Base interactions energy: -121.232
where: short stacking energy: -64.122
Base-Backbone interact. energy: -0.031
local terms energy: -66.540741
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -94.801098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.801098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.801098 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -32.717
Base-Backbone interact. energy: 0.367
local terms energy: -61.748979
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -2.335
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: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -88.165816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.165816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.165816 (E_RNA)
where:
Base-Base interactions energy: -40.927
where: short stacking energy: -29.548
Base-Backbone interact. energy: 0.710
local terms energy: -47.948703
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: 1.497
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: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -86.582051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.582051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.582051 (E_RNA)
where:
Base-Base interactions energy: -23.976
where: short stacking energy: -23.976
Base-Backbone interact. energy: -0.129
local terms energy: -62.476360
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -84.042115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.042115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.042115 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -32.127
Base-Backbone interact. energy: 0.865
local terms energy: -47.126165
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -9.311
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -258.872602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.872602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.872602 (E_RNA)
where:
Base-Base interactions energy: -168.931
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.670
local terms energy: -89.271420
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -20.420
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: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -237.731090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.731090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.731090 (E_RNA)
where:
Base-Base interactions energy: -154.715
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.436
local terms energy: -82.580215
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -223.569456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.569456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.569456 (E_RNA)
where:
Base-Base interactions energy: -145.146
where: short stacking energy: -67.473
Base-Backbone interact. energy: 1.810
local terms energy: -80.233358
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -207.217471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.217471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.217471 (E_RNA)
where:
Base-Base interactions energy: -126.273
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.226
local terms energy: -80.717602
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -222.240667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.240667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.240667 (E_RNA)
where:
Base-Base interactions energy: -137.858
where: short stacking energy: -76.774
Base-Backbone interact. energy: 2.219
local terms energy: -86.601827
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -18.056
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: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -178.882882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.882882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.882882 (E_RNA)
where:
Base-Base interactions energy: -110.407
where: short stacking energy: -57.736
Base-Backbone interact. energy: -0.227
local terms energy: -68.249721
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -15.595
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: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -95.561069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.561069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.561069 (E_RNA)
where:
Base-Base interactions energy: -42.133
where: short stacking energy: -42.133
Base-Backbone interact. energy: 1.501
local terms energy: -54.928724
where:
bonds (distance) C4'-P energy: -7.135
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -6.412
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: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -90.572986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572986 (E_RNA)
where:
Base-Base interactions energy: -34.925
where: short stacking energy: -34.570
Base-Backbone interact. energy: -0.055
local terms energy: -55.592943
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -2.838
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: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -78.351842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.351842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.351842 (E_RNA)
where:
Base-Base interactions energy: -21.851
where: short stacking energy: -21.851
Base-Backbone interact. energy: -0.220
local terms energy: -56.280712
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: 1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -81.273879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.273879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.273879 (E_RNA)
where:
Base-Base interactions energy: -30.554
where: short stacking energy: -30.554
Base-Backbone interact. energy: -0.054
local terms energy: -50.665676
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -251.250381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.250381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.250381 (E_RNA)
where:
Base-Base interactions energy: -166.502
where: short stacking energy: -66.941
Base-Backbone interact. energy: -0.240
local terms energy: -84.509088
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -229.057316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.057316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.057316 (E_RNA)
where:
Base-Base interactions energy: -150.039
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.658
local terms energy: -78.359877
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -20.672
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: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -227.042247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.042247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.042247 (E_RNA)
where:
Base-Base interactions energy: -148.345
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.198
local terms energy: -78.499857
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -212.263537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.263537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.263537 (E_RNA)
where:
Base-Base interactions energy: -130.177
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.578
local terms energy: -81.509208
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -196.541309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.541309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.541309 (E_RNA)
where:
Base-Base interactions energy: -116.169
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.411
local terms energy: -79.960664
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -193.421439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.421439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.421439 (E_RNA)
where:
Base-Base interactions energy: -130.113
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.218
local terms energy: -63.090718
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -106.179603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.179603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.179603 (E_RNA)
where:
Base-Base interactions energy: -38.950
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.096
local terms energy: -67.134176
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -94.714756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.714756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.714756 (E_RNA)
where:
Base-Base interactions energy: -42.190
where: short stacking energy: -26.514
Base-Backbone interact. energy: 0.293
local terms energy: -52.817644
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -1.413
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: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -100.289339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.289339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.289339 (E_RNA)
where:
Base-Base interactions energy: -29.236
where: short stacking energy: -30.306
Base-Backbone interact. energy: -0.025
local terms energy: -71.028777
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -5.447
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: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -78.580734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.580734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.580734 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -26.082
Base-Backbone interact. energy: -0.166
local terms energy: -48.737517
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: 3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -254.065499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.065499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.065499 (E_RNA)
where:
Base-Base interactions energy: -168.012
where: short stacking energy: -73.626
Base-Backbone interact. energy: 0.512
local terms energy: -86.566257
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -225.618309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.618309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.618309 (E_RNA)
where:
Base-Base interactions energy: -134.845
where: short stacking energy: -77.683
Base-Backbone interact. energy: -0.046
local terms energy: -90.727456
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -227.361973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.361973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.361973 (E_RNA)
where:
Base-Base interactions energy: -146.844
where: short stacking energy: -73.447
Base-Backbone interact. energy: 0.131
local terms energy: -80.648569
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -221.077415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.077415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.077415 (E_RNA)
where:
Base-Base interactions energy: -136.346
where: short stacking energy: -62.272
Base-Backbone interact. energy: 0.211
local terms energy: -84.941873
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -21.637
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: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -211.297872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.297872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.297872 (E_RNA)
where:
Base-Base interactions energy: -135.203
where: short stacking energy: -59.600
Base-Backbone interact. energy: 0.807
local terms energy: -76.901091
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -169.439635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.439635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.439635 (E_RNA)
where:
Base-Base interactions energy: -105.212
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.109
local terms energy: -64.118560
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -9.688
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: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -97.319250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319250 (E_RNA)
where:
Base-Base interactions energy: -31.700
where: short stacking energy: -30.672
Base-Backbone interact. energy: -0.211
local terms energy: -65.408398
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -2.412
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -103.499694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.499694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.499694 (E_RNA)
where:
Base-Base interactions energy: -46.567
where: short stacking energy: -34.304
Base-Backbone interact. energy: 0.389
local terms energy: -57.321469
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -91.978942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978942 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -26.971
Base-Backbone interact. energy: -0.105
local terms energy: -51.985183
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: 1.571
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: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -80.998585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.998585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.998585 (E_RNA)
where:
Base-Base interactions energy: -30.378
where: short stacking energy: -25.522
Base-Backbone interact. energy: -0.390
local terms energy: -50.230702
where:
bonds (distance) C4'-P energy: -6.745
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: 2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -250.177859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.177859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.177859 (E_RNA)
where:
Base-Base interactions energy: -168.956
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.432
local terms energy: -80.790516
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -215.768366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.768366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.768366 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -57.821
Base-Backbone interact. energy: -0.605
local terms energy: -81.115247
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -218.768946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.768946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.768946 (E_RNA)
where:
Base-Base interactions energy: -137.381
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.104
local terms energy: -81.283932
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -215.936494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.936494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.936494 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.077
local terms energy: -75.528979
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -210.551396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.551396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.551396 (E_RNA)
where:
Base-Base interactions energy: -135.326
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.109
local terms energy: -75.116384
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -167.766109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.766109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.766109 (E_RNA)
where:
Base-Base interactions energy: -104.401
where: short stacking energy: -63.395
Base-Backbone interact. energy: -0.013
local terms energy: -63.351436
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -99.232324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.232324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.232324 (E_RNA)
where:
Base-Base interactions energy: -46.305
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.059
local terms energy: -52.868668
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -6.388
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -90.491336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.491336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.491336 (E_RNA)
where:
Base-Base interactions energy: -26.768
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.555
local terms energy: -63.167424
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -9.319
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -80.765712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.765712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.765712 (E_RNA)
where:
Base-Base interactions energy: -35.984
where: short stacking energy: -18.760
Base-Backbone interact. energy: -0.118
local terms energy: -44.663558
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: 4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -122.089439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.089439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.089439 (E_RNA)
where:
Base-Base interactions energy: -67.302
where: short stacking energy: -32.480
Base-Backbone interact. energy: 0.179
local terms energy: -54.967081
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -3.921
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: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -251.267487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.267487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.267487 (E_RNA)
where:
Base-Base interactions energy: -171.862
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.540
local terms energy: -78.865473
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -19.198
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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -225.984354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.984354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.984354 (E_RNA)
where:
Base-Base interactions energy: -142.306
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.116
local terms energy: -83.562632
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -16.931
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: 276
Temperature: 1.000000
Total energy: -220.099156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.099156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.099156 (E_RNA)
where:
Base-Base interactions energy: -138.943
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.143
local terms energy: -81.012628
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -210.647466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.647466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.647466 (E_RNA)
where:
Base-Base interactions energy: -131.471
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.050
local terms energy: -79.125693
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -191.235983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.235983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.235983 (E_RNA)
where:
Base-Base interactions energy: -130.712
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.228
local terms energy: -60.295958
where:
bonds (distance) C4'-P energy: -7.086
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -12.824
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: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -172.613257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.613257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.613257 (E_RNA)
where:
Base-Base interactions energy: -114.290
where: short stacking energy: -69.726
Base-Backbone interact. energy: -0.147
local terms energy: -58.176816
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -104.018228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.018228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.018228 (E_RNA)
where:
Base-Base interactions energy: -44.821
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.549
local terms energy: -58.648861
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -100.313962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.313962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.313962 (E_RNA)
where:
Base-Base interactions energy: -31.785
where: short stacking energy: -31.785
Base-Backbone interact. energy: 1.922
local terms energy: -70.450495
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -5.124
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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -147.050425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.050425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.050425 (E_RNA)
where:
Base-Base interactions energy: -91.892
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.763
local terms energy: -54.395371
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.142
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: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -91.660189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.660189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.660189 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -26.765
Base-Backbone interact. energy: -1.100
local terms energy: -47.598825
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -254.380840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.380840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.380840 (E_RNA)
where:
Base-Base interactions energy: -168.394
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.855
local terms energy: -85.131292
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -233.794777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.794777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.794777 (E_RNA)
where:
Base-Base interactions energy: -154.996
where: short stacking energy: -62.221
Base-Backbone interact. energy: 0.568
local terms energy: -79.366719
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -221.532416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.532416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.532416 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.410
local terms energy: -76.000203
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -198.109058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.109058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.109058 (E_RNA)
where:
Base-Base interactions energy: -127.805
where: short stacking energy: -50.912
Base-Backbone interact. energy: -0.274
local terms energy: -70.029916
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -190.266586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.266586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.266586 (E_RNA)
where:
Base-Base interactions energy: -122.646
where: short stacking energy: -53.157
Base-Backbone interact. energy: 0.393
local terms energy: -68.012909
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -188.593573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.593573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.593573 (E_RNA)
where:
Base-Base interactions energy: -121.758
where: short stacking energy: -61.208
Base-Backbone interact. energy: 0.281
local terms energy: -67.116500
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -110.554956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.554956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.554956 (E_RNA)
where:
Base-Base interactions energy: -48.833
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.040
local terms energy: -61.681928
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -165.893291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.893291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.893291 (E_RNA)
where:
Base-Base interactions energy: -115.198
where: short stacking energy: -44.763
Base-Backbone interact. energy: -1.664
local terms energy: -49.031170
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: 0.653
tors. eta vs tors. theta energy: -2.669
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: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -83.365893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.365893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.365893 (E_RNA)
where:
Base-Base interactions energy: -26.918
where: short stacking energy: -20.919
Base-Backbone interact. energy: -0.224
local terms energy: -56.223376
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -7.902
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: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -82.279954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.279954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.279954 (E_RNA)
where:
Base-Base interactions energy: -28.687
where: short stacking energy: -26.953
Base-Backbone interact. energy: 0.489
local terms energy: -54.082356
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: 0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -253.714889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.714889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.714889 (E_RNA)
where:
Base-Base interactions energy: -170.011
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.816
local terms energy: -82.887963
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -231.173632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.173632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.173632 (E_RNA)
where:
Base-Base interactions energy: -151.961
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.013
local terms energy: -79.199831
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -218.749883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.749883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.749883 (E_RNA)
where:
Base-Base interactions energy: -140.937
where: short stacking energy: -63.415
Base-Backbone interact. energy: -2.890
local terms energy: -74.923190
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -17.824
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: 278
Temperature: 1.050000
Total energy: -204.794562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.794562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.794562 (E_RNA)
where:
Base-Base interactions energy: -128.150
where: short stacking energy: -56.887
Base-Backbone interact. energy: -0.239
local terms energy: -76.405149
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -14.772
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: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -205.696648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.696648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.696648 (E_RNA)
where:
Base-Base interactions energy: -136.401
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.013
local terms energy: -69.282884
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -177.536505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.536505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.536505 (E_RNA)
where:
Base-Base interactions energy: -118.456
where: short stacking energy: -49.203
Base-Backbone interact. energy: -0.180
local terms energy: -58.899807
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -6.447
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: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -140.801681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.801681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.801681 (E_RNA)
where:
Base-Base interactions energy: -81.594
where: short stacking energy: -33.803
Base-Backbone interact. energy: -0.253
local terms energy: -58.954579
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.886
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: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -114.510059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.510059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.510059 (E_RNA)
where:
Base-Base interactions energy: -50.053
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.141
local terms energy: -64.316131
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -96.046834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.046834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.046834 (E_RNA)
where:
Base-Base interactions energy: -31.857
where: short stacking energy: -23.460
Base-Backbone interact. energy: -0.280
local terms energy: -63.909782
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -5.973
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: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -81.413737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.413737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.413737 (E_RNA)
where:
Base-Base interactions energy: -28.326
where: short stacking energy: -19.236
Base-Backbone interact. energy: -0.564
local terms energy: -52.524276
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -9.052
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: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -270.873426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.873426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.873426 (E_RNA)
where:
Base-Base interactions energy: -183.671
where: short stacking energy: -72.200
Base-Backbone interact. energy: -0.474
local terms energy: -86.728783
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -231.022389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.022389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.022389 (E_RNA)
where:
Base-Base interactions energy: -149.234
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.003
local terms energy: -81.785196
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -223.757320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.757320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.757320 (E_RNA)
where:
Base-Base interactions energy: -143.619
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.902
local terms energy: -79.236108
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -223.343535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.343535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.343535 (E_RNA)
where:
Base-Base interactions energy: -139.091
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.013
local terms energy: -84.239993
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -201.376222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.376222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.376222 (E_RNA)
where:
Base-Base interactions energy: -131.261
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.134
local terms energy: -69.980886
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -163.497701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.497701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.497701 (E_RNA)
where:
Base-Base interactions energy: -96.944
where: short stacking energy: -52.284
Base-Backbone interact. energy: -0.034
local terms energy: -66.519593
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -9.153
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: 279
Temperature: 1.200000
Total energy: -173.029090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.029090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.029090 (E_RNA)
where:
Base-Base interactions energy: -111.068
where: short stacking energy: -41.146
Base-Backbone interact. energy: -0.313
local terms energy: -61.648002
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -96.084339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.084339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.084339 (E_RNA)
where:
Base-Base interactions energy: -38.024
where: short stacking energy: -20.457
Base-Backbone interact. energy: -0.029
local terms energy: -58.030995
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -87.733532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.733532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.733532 (E_RNA)
where:
Base-Base interactions energy: -29.338
where: short stacking energy: -27.159
Base-Backbone interact. energy: -0.128
local terms energy: -58.266983
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: 1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -80.741387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.741387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.741387 (E_RNA)
where:
Base-Base interactions energy: -21.965
where: short stacking energy: -21.965
Base-Backbone interact. energy: 0.148
local terms energy: -58.923977
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -260.827998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.827998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.827998 (E_RNA)
where:
Base-Base interactions energy: -179.395
where: short stacking energy: -70.956
Base-Backbone interact. energy: -0.438
local terms energy: -80.995064
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -22.077
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: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -221.162929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.162929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.162929 (E_RNA)
where:
Base-Base interactions energy: -137.858
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.006
local terms energy: -83.299396
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -226.016665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.016665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.016665 (E_RNA)
where:
Base-Base interactions energy: -148.213
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.125
local terms energy: -77.679509
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -201.496295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.496295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.496295 (E_RNA)
where:
Base-Base interactions energy: -124.969
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.575
local terms energy: -75.952845
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -207.188469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188469 (E_RNA)
where:
Base-Base interactions energy: -133.750
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.006
local terms energy: -73.432889
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -170.020358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.020358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.020358 (E_RNA)
where:
Base-Base interactions energy: -108.951
where: short stacking energy: -55.583
Base-Backbone interact. energy: -0.135
local terms energy: -60.934199
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -108.338386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.338386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.338386 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -40.182
Base-Backbone interact. energy: -0.308
local terms energy: -65.553485
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -12.890
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: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -157.750270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.750270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.750270 (E_RNA)
where:
Base-Base interactions energy: -90.428
where: short stacking energy: -48.454
Base-Backbone interact. energy: -0.403
local terms energy: -66.919293
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -86.127163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.127163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.127163 (E_RNA)
where:
Base-Base interactions energy: -30.142
where: short stacking energy: -13.696
Base-Backbone interact. energy: -1.281
local terms energy: -54.704517
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: 3.983
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: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -94.358985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.358985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.358985 (E_RNA)
where:
Base-Base interactions energy: -42.338
where: short stacking energy: -25.952
Base-Backbone interact. energy: -0.322
local terms energy: -51.699131
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -268.002939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.002939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.002939 (E_RNA)
where:
Base-Base interactions energy: -180.697
where: short stacking energy: -73.631
Base-Backbone interact. energy: -0.450
local terms energy: -86.855715
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -22.117
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: 281
Temperature: 0.950000
Total energy: -229.613142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.613142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.613142 (E_RNA)
where:
Base-Base interactions energy: -144.323
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.157
local terms energy: -85.133125
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -229.172965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172965 (E_RNA)
where:
Base-Base interactions energy: -156.378
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.017
local terms energy: -72.777632
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -15.246
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: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -203.757117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.757117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.757117 (E_RNA)
where:
Base-Base interactions energy: -132.222
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.095
local terms energy: -71.440469
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -191.594142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.594142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.594142 (E_RNA)
where:
Base-Base interactions energy: -114.478
where: short stacking energy: -69.972
Base-Backbone interact. energy: -0.006
local terms energy: -77.110025
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -15.634
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: 281
Temperature: 1.150000
Total energy: -161.487482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.487482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.487482 (E_RNA)
where:
Base-Base interactions energy: -104.608
where: short stacking energy: -42.943
Base-Backbone interact. energy: -0.217
local terms energy: -56.662194
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -101.477936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.477936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.477936 (E_RNA)
where:
Base-Base interactions energy: -48.398
where: short stacking energy: -39.181
Base-Backbone interact. energy: -0.886
local terms energy: -52.193443
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -9.577
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: 281
Temperature: 1.250000
Total energy: -148.186219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.186219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.186219 (E_RNA)
where:
Base-Base interactions energy: -89.581
where: short stacking energy: -35.077
Base-Backbone interact. energy: -0.583
local terms energy: -58.021821
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -3.773
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: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -100.643871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.643871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.643871 (E_RNA)
where:
Base-Base interactions energy: -41.699
where: short stacking energy: -39.101
Base-Backbone interact. energy: -0.090
local terms energy: -58.854527
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -87.332387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.332387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.332387 (E_RNA)
where:
Base-Base interactions energy: -31.915
where: short stacking energy: -31.986
Base-Backbone interact. energy: 0.054
local terms energy: -55.471056
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -264.349331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.349331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.349331 (E_RNA)
where:
Base-Base interactions energy: -178.542
where: short stacking energy: -71.907
Base-Backbone interact. energy: -0.571
local terms energy: -85.236367
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -20.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -224.233990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.233990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233990 (E_RNA)
where:
Base-Base interactions energy: -138.512
where: short stacking energy: -65.914
Base-Backbone interact. energy: -0.527
local terms energy: -85.195830
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -14.941
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: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -216.788789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.788789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.788789 (E_RNA)
where:
Base-Base interactions energy: -135.524
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.003
local terms energy: -81.261341
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -202.080165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.080165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.080165 (E_RNA)
where:
Base-Base interactions energy: -131.188
where: short stacking energy: -55.683
Base-Backbone interact. energy: -0.065
local terms energy: -70.827055
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -186.956524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.956524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.956524 (E_RNA)
where:
Base-Base interactions energy: -118.930
where: short stacking energy: -55.763
Base-Backbone interact. energy: 0.153
local terms energy: -68.179194
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -174.691377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.691377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.691377 (E_RNA)
where:
Base-Base interactions energy: -104.285
where: short stacking energy: -51.591
Base-Backbone interact. energy: 0.163
local terms energy: -70.569398
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -7.121
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: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -161.133067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.133067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.133067 (E_RNA)
where:
Base-Base interactions energy: -96.370
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.103
local terms energy: -64.660032
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -90.322469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.322469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.322469 (E_RNA)
where:
Base-Base interactions energy: -37.832
where: short stacking energy: -23.972
Base-Backbone interact. energy: -0.561
local terms energy: -51.929409
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -12.683
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: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -85.464923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.464923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.464923 (E_RNA)
where:
Base-Base interactions energy: -38.422
where: short stacking energy: -32.834
Base-Backbone interact. energy: -0.984
local terms energy: -46.058777
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -2.166
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: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -92.379766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.379766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.379766 (E_RNA)
where:
Base-Base interactions energy: -36.110
where: short stacking energy: -33.338
Base-Backbone interact. energy: -0.975
local terms energy: -55.294632
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -259.276625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.276625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.276625 (E_RNA)
where:
Base-Base interactions energy: -170.891
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.512
local terms energy: -87.873857
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -211.701444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.701444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.701444 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.032
local terms energy: -77.964358
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -18.200
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: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -220.233714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.233714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.233714 (E_RNA)
where:
Base-Base interactions energy: -145.579
where: short stacking energy: -71.971
Base-Backbone interact. energy: -0.025
local terms energy: -74.629778
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -196.510688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.510688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.510688 (E_RNA)
where:
Base-Base interactions energy: -124.119
where: short stacking energy: -58.862
Base-Backbone interact. energy: -0.458
local terms energy: -71.933225
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -11.555
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: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -206.389290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.389290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.389290 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -58.731
Base-Backbone interact. energy: 0.057
local terms energy: -73.699555
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -168.051519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.051519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.051519 (E_RNA)
where:
Base-Base interactions energy: -98.954
where: short stacking energy: -57.719
Base-Backbone interact. energy: -0.092
local terms energy: -69.005254
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -180.193700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.193700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.193700 (E_RNA)
where:
Base-Base interactions energy: -108.048
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.085
local terms energy: -72.060610
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -93.367335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.367335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.367335 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -29.409
Base-Backbone interact. energy: 1.489
local terms energy: -55.191410
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -1.655
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: 283
Temperature: 1.300000
Total energy: -87.330974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.330974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.330974 (E_RNA)
where:
Base-Base interactions energy: -44.458
where: short stacking energy: -23.994
Base-Backbone interact. energy: -0.461
local terms energy: -42.411422
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -5.765
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: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -82.322722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.322722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.322722 (E_RNA)
where:
Base-Base interactions energy: -37.150
where: short stacking energy: -21.994
Base-Backbone interact. energy: -0.360
local terms energy: -44.813057
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: 2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -265.318741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.318741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.318741 (E_RNA)
where:
Base-Base interactions energy: -175.359
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.247
local terms energy: -89.713108
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -21.347
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: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -213.657052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.657052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.657052 (E_RNA)
where:
Base-Base interactions energy: -133.760
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.009
local terms energy: -79.888158
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -201.702465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.702465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.702465 (E_RNA)
where:
Base-Base interactions energy: -129.691
where: short stacking energy: -56.947
Base-Backbone interact. energy: -0.224
local terms energy: -71.787963
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -9.636
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: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -207.314709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.314709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.314709 (E_RNA)
where:
Base-Base interactions energy: -120.769
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.303
local terms energy: -86.242143
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -194.574581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.574581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.574581 (E_RNA)
where:
Base-Base interactions energy: -118.548
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.018
local terms energy: -76.008436
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -151.553592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.553592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.553592 (E_RNA)
where:
Base-Base interactions energy: -87.554
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.046
local terms energy: -63.953249
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -6.765
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: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -185.724232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.724232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.724232 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -55.064
Base-Backbone interact. energy: 0.805
local terms energy: -61.187144
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -93.571595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.571595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.571595 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -32.527
Base-Backbone interact. energy: -0.048
local terms energy: -60.996219
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -1.019
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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -82.947996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.947996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.947996 (E_RNA)
where:
Base-Base interactions energy: -30.899
where: short stacking energy: -30.679
Base-Backbone interact. energy: -0.382
local terms energy: -51.666880
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -0.644
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: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -84.621528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.621528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.621528 (E_RNA)
where:
Base-Base interactions energy: -32.932
where: short stacking energy: -32.932
Base-Backbone interact. energy: 2.274
local terms energy: -53.963511
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -4.398
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: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -262.340324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.340324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.340324 (E_RNA)
where:
Base-Base interactions energy: -178.079
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.492
local terms energy: -83.769574
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -213.976182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.976182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.976182 (E_RNA)
where:
Base-Base interactions energy: -124.604
where: short stacking energy: -60.348
Base-Backbone interact. energy: -0.061
local terms energy: -89.312039
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -206.429081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.429081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.429081 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -64.921
Base-Backbone interact. energy: -1.007
local terms energy: -76.860584
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -197.685909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.685909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.685909 (E_RNA)
where:
Base-Base interactions energy: -123.015
where: short stacking energy: -59.112
Base-Backbone interact. energy: -1.051
local terms energy: -73.619792
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -179.654408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.654408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.654408 (E_RNA)
where:
Base-Base interactions energy: -108.998
where: short stacking energy: -51.073
Base-Backbone interact. energy: -0.007
local terms energy: -70.649264
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -18.210
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: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -187.852514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.852514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.852514 (E_RNA)
where:
Base-Base interactions energy: -118.843
where: short stacking energy: -52.415
Base-Backbone interact. energy: -1.240
local terms energy: -67.769392
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -11.017
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: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -168.063792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.063792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.063792 (E_RNA)
where:
Base-Base interactions energy: -91.448
where: short stacking energy: -51.809
Base-Backbone interact. energy: -0.115
local terms energy: -76.499816
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -108.282944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.282944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.282944 (E_RNA)
where:
Base-Base interactions energy: -52.219
where: short stacking energy: -32.276
Base-Backbone interact. energy: 0.810
local terms energy: -56.874794
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -9.060
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: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -80.964303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.964303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.964303 (E_RNA)
where:
Base-Base interactions energy: -27.383
where: short stacking energy: -27.383
Base-Backbone interact. energy: 1.495
local terms energy: -55.076246
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -84.947598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.947598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.947598 (E_RNA)
where:
Base-Base interactions energy: -43.556
where: short stacking energy: -18.445
Base-Backbone interact. energy: -1.297
local terms energy: -40.094821
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -3.397
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -258.483426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.483426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.483426 (E_RNA)
where:
Base-Base interactions energy: -173.557
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.847
local terms energy: -84.079292
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -226.085142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.085142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.085142 (E_RNA)
where:
Base-Base interactions energy: -142.436
where: short stacking energy: -70.938
Base-Backbone interact. energy: 1.451
local terms energy: -85.100219
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -18.884
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: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -228.304985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.304985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.304985 (E_RNA)
where:
Base-Base interactions energy: -137.490
where: short stacking energy: -77.388
Base-Backbone interact. energy: -0.214
local terms energy: -90.600565
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -25.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -198.218067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.218067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.218067 (E_RNA)
where:
Base-Base interactions energy: -119.034
where: short stacking energy: -51.250
Base-Backbone interact. energy: -0.425
local terms energy: -78.758608
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -190.451285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.451285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.451285 (E_RNA)
where:
Base-Base interactions energy: -123.273
where: short stacking energy: -45.764
Base-Backbone interact. energy: -0.122
local terms energy: -67.056665
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -14.608
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: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -171.644991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.644991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.644991 (E_RNA)
where:
Base-Base interactions energy: -106.403
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.197
local terms energy: -65.045103
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -9.661
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: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -160.548231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.548231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.548231 (E_RNA)
where:
Base-Base interactions energy: -96.784
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.288
local terms energy: -63.476262
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -87.789526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789526 (E_RNA)
where:
Base-Base interactions energy: -30.563
where: short stacking energy: -26.763
Base-Backbone interact. energy: 0.007
local terms energy: -57.233548
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -83.075767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.075767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.075767 (E_RNA)
where:
Base-Base interactions energy: -28.209
where: short stacking energy: -28.375
Base-Backbone interact. energy: -0.305
local terms energy: -54.561810
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -8.388
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: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -74.214352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.214352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.214352 (E_RNA)
where:
Base-Base interactions energy: -23.661
where: short stacking energy: -23.661
Base-Backbone interact. energy: -0.341
local terms energy: -50.212716
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -2.959
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: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -256.708438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.708438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.708438 (E_RNA)
where:
Base-Base interactions energy: -174.703
where: short stacking energy: -70.858
Base-Backbone interact. energy: -0.485
local terms energy: -81.521042
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -17.475
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: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -231.407921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.407921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.407921 (E_RNA)
where:
Base-Base interactions energy: -149.463
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.421
local terms energy: -81.523834
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -213.821485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.821485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.821485 (E_RNA)
where:
Base-Base interactions energy: -131.340
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.198
local terms energy: -82.283604
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -205.090306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.090306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.090306 (E_RNA)
where:
Base-Base interactions energy: -132.153
where: short stacking energy: -62.539
Base-Backbone interact. energy: 0.390
local terms energy: -73.327196
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -199.656299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.656299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.656299 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.258
local terms energy: -73.393263
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -160.638456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.638456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.638456 (E_RNA)
where:
Base-Base interactions energy: -96.421
where: short stacking energy: -43.142
Base-Backbone interact. energy: -1.406
local terms energy: -62.811883
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -6.627
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: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -164.087259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.087259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.087259 (E_RNA)
where:
Base-Base interactions energy: -107.692
where: short stacking energy: -48.820
Base-Backbone interact. energy: -0.067
local terms energy: -56.328759
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -10.830
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: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -83.220814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.220814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.220814 (E_RNA)
where:
Base-Base interactions energy: -29.471
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.152
local terms energy: -53.597653
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -100.822260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.822260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.822260 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -21.169
Base-Backbone interact. energy: -0.181
local terms energy: -56.190498
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -1.773
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: 287
Temperature: 1.350000
Total energy: -87.706721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.706721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.706721 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.140
local terms energy: -55.855160
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -2.906
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: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -260.829048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.829048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.829048 (E_RNA)
where:
Base-Base interactions energy: -183.891
where: short stacking energy: -72.095
Base-Backbone interact. energy: -0.812
local terms energy: -76.125624
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -234.245101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.245101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.245101 (E_RNA)
where:
Base-Base interactions energy: -146.456
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.624
local terms energy: -87.164744
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -17.893
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: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -205.614093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.614093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.614093 (E_RNA)
where:
Base-Base interactions energy: -126.564
where: short stacking energy: -57.245
Base-Backbone interact. energy: -0.198
local terms energy: -78.852209
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -205.325957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.325957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.325957 (E_RNA)
where:
Base-Base interactions energy: -126.545
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.012
local terms energy: -78.769261
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -210.372368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.372368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.372368 (E_RNA)
where:
Base-Base interactions energy: -138.840
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.466
local terms energy: -71.066389
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -181.589660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.589660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.589660 (E_RNA)
where:
Base-Base interactions energy: -117.274
where: short stacking energy: -56.663
Base-Backbone interact. energy: -1.203
local terms energy: -63.112385
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -189.887681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.887681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.887681 (E_RNA)
where:
Base-Base interactions energy: -124.783
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.204
local terms energy: -64.900668
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -95.605115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.605115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.605115 (E_RNA)
where:
Base-Base interactions energy: -39.419
where: short stacking energy: -39.419
Base-Backbone interact. energy: -0.127
local terms energy: -56.058515
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -8.893
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: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -91.122012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.122012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.122012 (E_RNA)
where:
Base-Base interactions energy: -33.931
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.305
local terms energy: -56.885519
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -86.917376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.917376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.917376 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -31.739
Base-Backbone interact. energy: 0.040
local terms energy: -47.798610
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -1.164
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: 289
Temperature: 0.900000
Total energy: -263.687301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.687301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.687301 (E_RNA)
where:
Base-Base interactions energy: -174.217
where: short stacking energy: -66.466
Base-Backbone interact. energy: 0.441
local terms energy: -89.912113
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -213.200977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.200977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.200977 (E_RNA)
where:
Base-Base interactions energy: -144.988
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.170
local terms energy: -68.043177
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -228.924426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.924426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.924426 (E_RNA)
where:
Base-Base interactions energy: -153.604
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.104
local terms energy: -75.216855
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -16.698
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: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -206.379122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.379122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.379122 (E_RNA)
where:
Base-Base interactions energy: -124.706
where: short stacking energy: -62.468
Base-Backbone interact. energy: -0.293
local terms energy: -81.380409
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -198.474775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.474775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.474775 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.087
local terms energy: -61.530056
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -191.747256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.747256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.747256 (E_RNA)
where:
Base-Base interactions energy: -124.906
where: short stacking energy: -54.824
Base-Backbone interact. energy: -0.279
local terms energy: -66.561783
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -192.110474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.110474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.110474 (E_RNA)
where:
Base-Base interactions energy: -122.090
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.168
local terms energy: -69.852337
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -13.964
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -106.185129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.185129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.185129 (E_RNA)
where:
Base-Base interactions energy: -46.233
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.550
local terms energy: -59.402224
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -87.817054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.817054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.817054 (E_RNA)
where:
Base-Base interactions energy: -24.481
where: short stacking energy: -18.907
Base-Backbone interact. energy: -0.208
local terms energy: -63.127955
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -88.533832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.533832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.533832 (E_RNA)
where:
Base-Base interactions energy: -44.446
where: short stacking energy: -34.952
Base-Backbone interact. energy: -0.822
local terms energy: -43.266305
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: 4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -261.339081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.339081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.339081 (E_RNA)
where:
Base-Base interactions energy: -174.147
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.275
local terms energy: -86.917214
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -224.224179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.224179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.224179 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -65.081
Base-Backbone interact. energy: -0.596
local terms energy: -85.223747
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -212.480957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.480957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480957 (E_RNA)
where:
Base-Base interactions energy: -131.614
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.181
local terms energy: -80.685696
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -224.820713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.820713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.820713 (E_RNA)
where:
Base-Base interactions energy: -142.688
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.123
local terms energy: -82.009008
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -204.689685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.689685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.689685 (E_RNA)
where:
Base-Base interactions energy: -136.106
where: short stacking energy: -53.995
Base-Backbone interact. energy: -0.034
local terms energy: -68.549422
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -179.000743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.000743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.000743 (E_RNA)
where:
Base-Base interactions energy: -107.342
where: short stacking energy: -48.198
Base-Backbone interact. energy: -0.608
local terms energy: -71.051003
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.601
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: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -152.340380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.340380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.340380 (E_RNA)
where:
Base-Base interactions energy: -84.656
where: short stacking energy: -43.398
Base-Backbone interact. energy: -0.077
local terms energy: -67.607131
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -81.319748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.319748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.319748 (E_RNA)
where:
Base-Base interactions energy: -23.917
where: short stacking energy: -23.917
Base-Backbone interact. energy: -0.507
local terms energy: -56.896017
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: 0.718
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: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -108.910613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.910613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.910613 (E_RNA)
where:
Base-Base interactions energy: -53.341
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.232
local terms energy: -55.337477
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -81.002630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.002630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.002630 (E_RNA)
where:
Base-Base interactions energy: -28.688
where: short stacking energy: -28.688
Base-Backbone interact. energy: 0.070
local terms energy: -52.384980
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -12.195
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: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -257.367721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.367721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.367721 (E_RNA)
where:
Base-Base interactions energy: -180.359
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.514
local terms energy: -76.495459
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -211.638915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.638915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.638915 (E_RNA)
where:
Base-Base interactions energy: -132.213
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.197
local terms energy: -79.228094
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -219.010001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.010001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.010001 (E_RNA)
where:
Base-Base interactions energy: -146.426
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.073
local terms energy: -72.511053
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -16.880
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: 291
Temperature: 1.050000
Total energy: -217.418115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.418115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.418115 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -59.791
Base-Backbone interact. energy: -0.565
local terms energy: -77.182750
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -207.259993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.259993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.259993 (E_RNA)
where:
Base-Base interactions energy: -129.987
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.066
local terms energy: -77.206538
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -165.063265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.063265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.063265 (E_RNA)
where:
Base-Base interactions energy: -102.801
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.313
local terms energy: -61.949177
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -11.379
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: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -173.356587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.356587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.356587 (E_RNA)
where:
Base-Base interactions energy: -111.388
where: short stacking energy: -52.640
Base-Backbone interact. energy: 0.919
local terms energy: -62.887879
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -127.258755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.258755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.258755 (E_RNA)
where:
Base-Base interactions energy: -70.511
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.263
local terms energy: -56.484839
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: 1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -80.279127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.279127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.279127 (E_RNA)
where:
Base-Base interactions energy: -43.675
where: short stacking energy: -26.727
Base-Backbone interact. energy: 0.466
local terms energy: -37.070152
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -7.518
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -76.431989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.431989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.431989 (E_RNA)
where:
Base-Base interactions energy: -28.683
where: short stacking energy: -26.110
Base-Backbone interact. energy: -0.367
local terms energy: -47.382469
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: 0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -263.058239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.058239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.058239 (E_RNA)
where:
Base-Base interactions energy: -179.907
where: short stacking energy: -68.612
Base-Backbone interact. energy: -0.401
local terms energy: -82.750223
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -15.432
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: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -227.239286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.239286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.239286 (E_RNA)
where:
Base-Base interactions energy: -151.365
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.057
local terms energy: -75.818070
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -219.800757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.800757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800757 (E_RNA)
where:
Base-Base interactions energy: -141.419
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.405
local terms energy: -77.976568
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -216.637949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.637949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.637949 (E_RNA)
where:
Base-Base interactions energy: -140.020
where: short stacking energy: -57.017
Base-Backbone interact. energy: -0.007
local terms energy: -76.610858
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -192.730954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.730954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.730954 (E_RNA)
where:
Base-Base interactions energy: -113.625
where: short stacking energy: -57.324
Base-Backbone interact. energy: -1.711
local terms energy: -77.395218
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -187.895107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.895107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.895107 (E_RNA)
where:
Base-Base interactions energy: -113.870
where: short stacking energy: -47.710
Base-Backbone interact. energy: -0.006
local terms energy: -74.019456
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -153.790666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.790666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.790666 (E_RNA)
where:
Base-Base interactions energy: -93.597
where: short stacking energy: -33.282
Base-Backbone interact. energy: -0.265
local terms energy: -59.928717
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -148.860419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.860419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.860419 (E_RNA)
where:
Base-Base interactions energy: -82.569
where: short stacking energy: -42.489
Base-Backbone interact. energy: -0.025
local terms energy: -66.266245
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -82.381106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.381106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.381106 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.252
local terms energy: -54.659211
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -9.906
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: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -93.006956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.006956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.006956 (E_RNA)
where:
Base-Base interactions energy: -39.581
where: short stacking energy: -20.624
Base-Backbone interact. energy: -0.601
local terms energy: -52.824410
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.985
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: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -258.997832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.997832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.997832 (E_RNA)
where:
Base-Base interactions energy: -181.640
where: short stacking energy: -74.366
Base-Backbone interact. energy: -0.444
local terms energy: -76.913548
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -18.557
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: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -232.543012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.543012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.543012 (E_RNA)
where:
Base-Base interactions energy: -151.019
where: short stacking energy: -64.868
Base-Backbone interact. energy: -0.498
local terms energy: -81.026623
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -221.741582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.741582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.741582 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -64.640
Base-Backbone interact. energy: -1.102
local terms energy: -80.629427
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -20.254
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: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -215.964122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.964122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.964122 (E_RNA)
where:
Base-Base interactions energy: -140.547
where: short stacking energy: -67.520
Base-Backbone interact. energy: -0.442
local terms energy: -74.975265
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -188.252061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.252061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.252061 (E_RNA)
where:
Base-Base interactions energy: -118.389
where: short stacking energy: -60.412
Base-Backbone interact. energy: 1.134
local terms energy: -70.997291
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -174.222948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.222948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.222948 (E_RNA)
where:
Base-Base interactions energy: -111.350
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.056
local terms energy: -62.816927
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -5.266
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: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -180.641272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.641272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.641272 (E_RNA)
where:
Base-Base interactions energy: -109.358
where: short stacking energy: -43.893
Base-Backbone interact. energy: -0.487
local terms energy: -70.796686
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -185.310073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.310073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.310073 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -51.912
Base-Backbone interact. energy: 0.370
local terms energy: -67.319457
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -87.410884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.410884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.410884 (E_RNA)
where:
Base-Base interactions energy: -33.853
where: short stacking energy: -22.824
Base-Backbone interact. energy: -1.330
local terms energy: -52.227988
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -3.360
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: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -89.441699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.441699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.441699 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -25.015
Base-Backbone interact. energy: -0.158
local terms energy: -48.136209
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -249.697966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.697966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.697966 (E_RNA)
where:
Base-Base interactions energy: -164.818
where: short stacking energy: -62.000
Base-Backbone interact. energy: -2.575
local terms energy: -82.304539
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -18.750
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: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -219.740873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.740873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.740873 (E_RNA)
where:
Base-Base interactions energy: -130.043
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.977
local terms energy: -88.721227
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -222.684900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.684900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.684900 (E_RNA)
where:
Base-Base interactions energy: -138.783
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.149
local terms energy: -83.752407
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -201.108903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.108903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.108903 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -53.522
Base-Backbone interact. energy: -0.146
local terms energy: -64.716533
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -16.101
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: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -195.940293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.940293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.940293 (E_RNA)
where:
Base-Base interactions energy: -131.784
where: short stacking energy: -63.154
Base-Backbone interact. energy: -0.344
local terms energy: -63.812717
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -15.259
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: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -193.943052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.943052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.943052 (E_RNA)
where:
Base-Base interactions energy: -117.657
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.164
local terms energy: -76.121664
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -189.522320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.522320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.522320 (E_RNA)
where:
Base-Base interactions energy: -111.175
where: short stacking energy: -53.731
Base-Backbone interact. energy: -0.699
local terms energy: -77.648912
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -11.644
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: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -166.615259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.615259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.615259 (E_RNA)
where:
Base-Base interactions energy: -102.985
where: short stacking energy: -47.776
Base-Backbone interact. energy: -0.128
local terms energy: -63.502651
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -11.131
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: 294
Temperature: 1.300000
Total energy: -142.530013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.530013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.530013 (E_RNA)
where:
Base-Base interactions energy: -79.078
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.018
local terms energy: -63.434271
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -13.202
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: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -86.564229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.564229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.564229 (E_RNA)
where:
Base-Base interactions energy: -33.830
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.181
local terms energy: -52.552829
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -1.195
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -258.638480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.638480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.638480 (E_RNA)
where:
Base-Base interactions energy: -170.177
where: short stacking energy: -69.304
Base-Backbone interact. energy: -1.671
local terms energy: -86.790658
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -233.070011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.070011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.070011 (E_RNA)
where:
Base-Base interactions energy: -154.580
where: short stacking energy: -70.545
Base-Backbone interact. energy: -0.758
local terms energy: -77.731265
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -206.333051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.333051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.333051 (E_RNA)
where:
Base-Base interactions energy: -129.168
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.463
local terms energy: -76.701373
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -189.991610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.991610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.991610 (E_RNA)
where:
Base-Base interactions energy: -115.379
where: short stacking energy: -53.524
Base-Backbone interact. energy: -0.446
local terms energy: -74.166241
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -203.341440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.341440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.341440 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.131
local terms energy: -73.398578
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -18.942
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -187.233980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.233980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.233980 (E_RNA)
where:
Base-Base interactions energy: -110.985
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.031
local terms energy: -76.218655
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -177.223239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.223239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.223239 (E_RNA)
where:
Base-Base interactions energy: -100.158
where: short stacking energy: -44.240
Base-Backbone interact. energy: -0.123
local terms energy: -76.942389
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -178.572811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.572811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.572811 (E_RNA)
where:
Base-Base interactions energy: -117.892
where: short stacking energy: -44.046
Base-Backbone interact. energy: -1.615
local terms energy: -59.065289
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -8.655
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: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -148.829548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.829548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.829548 (E_RNA)
where:
Base-Base interactions energy: -90.820
where: short stacking energy: -36.007
Base-Backbone interact. energy: -0.252
local terms energy: -57.757353
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -85.383867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.383867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.383867 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -28.063
Base-Backbone interact. energy: -0.436
local terms energy: -54.974753
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -249.588206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.588206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.588206 (E_RNA)
where:
Base-Base interactions energy: -174.327
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.185
local terms energy: -75.076769
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -240.118361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.118361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.118361 (E_RNA)
where:
Base-Base interactions energy: -155.342
where: short stacking energy: -83.739
Base-Backbone interact. energy: -0.034
local terms energy: -84.742529
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -237.515159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.515159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.515159 (E_RNA)
where:
Base-Base interactions energy: -152.188
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.612
local terms energy: -84.715128
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -202.902944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902944 (E_RNA)
where:
Base-Base interactions energy: -127.469
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.654
local terms energy: -74.779512
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -14.415
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: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -204.361864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.361864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.361864 (E_RNA)
where:
Base-Base interactions energy: -125.546
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.005
local terms energy: -78.811360
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -185.837911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.837911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.837911 (E_RNA)
where:
Base-Base interactions energy: -114.598
where: short stacking energy: -59.997
Base-Backbone interact. energy: -0.037
local terms energy: -71.203088
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -190.165208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.165208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.165208 (E_RNA)
where:
Base-Base interactions energy: -121.582
where: short stacking energy: -50.812
Base-Backbone interact. energy: -0.084
local terms energy: -68.499622
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -15.532
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: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -161.669931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.669931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.669931 (E_RNA)
where:
Base-Base interactions energy: -98.141
where: short stacking energy: -39.780
Base-Backbone interact. energy: -0.295
local terms energy: -63.233308
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -82.318378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.318378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.318378 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -29.561
Base-Backbone interact. energy: -0.196
local terms energy: -52.560574
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -2.621
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: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -130.366339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.366339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.366339 (E_RNA)
where:
Base-Base interactions energy: -76.421
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.160
local terms energy: -53.785977
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -2.897
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: 297
Temperature: 0.900000
Total energy: -256.237806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.237806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.237806 (E_RNA)
where:
Base-Base interactions energy: -171.702
where: short stacking energy: -68.474
Base-Backbone interact. energy: -1.813
local terms energy: -82.722267
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -235.038309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.038309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.038309 (E_RNA)
where:
Base-Base interactions energy: -150.643
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.657
local terms energy: -83.738053
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -238.759124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.759124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.759124 (E_RNA)
where:
Base-Base interactions energy: -152.675
where: short stacking energy: -78.494
Base-Backbone interact. energy: 0.945
local terms energy: -87.029139
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -25.085
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: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -206.670255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.670255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.670255 (E_RNA)
where:
Base-Base interactions energy: -126.805
where: short stacking energy: -61.260
Base-Backbone interact. energy: -0.043
local terms energy: -79.822331
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -210.212267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212267 (E_RNA)
where:
Base-Base interactions energy: -136.601
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.057
local terms energy: -73.554583
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -19.729
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -188.405042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.405042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.405042 (E_RNA)
where:
Base-Base interactions energy: -108.052
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.107
local terms energy: -80.246082
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -15.595
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: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -178.778467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.778467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.778467 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -52.368
Base-Backbone interact. energy: -0.321
local terms energy: -60.030390
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -93.367400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.367400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.367400 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.106
local terms energy: -65.859657
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -142.611243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.611243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.611243 (E_RNA)
where:
Base-Base interactions energy: -77.611
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.572
local terms energy: -64.428493
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -145.463959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.463959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.463959 (E_RNA)
where:
Base-Base interactions energy: -73.109
where: short stacking energy: -30.659
Base-Backbone interact. energy: -0.359
local terms energy: -71.996074
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -261.541059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.541059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.541059 (E_RNA)
where:
Base-Base interactions energy: -177.786
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.353
local terms energy: -83.402584
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -232.491965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.491965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.491965 (E_RNA)
where:
Base-Base interactions energy: -150.291
where: short stacking energy: -78.023
Base-Backbone interact. energy: -0.039
local terms energy: -82.161693
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -211.286044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.286044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.286044 (E_RNA)
where:
Base-Base interactions energy: -132.818
where: short stacking energy: -65.749
Base-Backbone interact. energy: -0.313
local terms energy: -78.155099
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -207.875143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.875143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.875143 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.084
local terms energy: -74.548383
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -196.785016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.785016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.785016 (E_RNA)
where:
Base-Base interactions energy: -125.848
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.219
local terms energy: -70.717969
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -8.983
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: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -191.050361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.050361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.050361 (E_RNA)
where:
Base-Base interactions energy: -114.943
where: short stacking energy: -58.144
Base-Backbone interact. energy: 0.290
local terms energy: -76.397814
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -103.309522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.309522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.309522 (E_RNA)
where:
Base-Base interactions energy: -41.236
where: short stacking energy: -37.435
Base-Backbone interact. energy: -0.287
local terms energy: -61.786834
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -8.509
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: 298
Temperature: 1.250000
Total energy: -86.098819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.098819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.098819 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -20.328
Base-Backbone interact. energy: -0.154
local terms energy: -52.154239
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -147.927641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.927641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.927641 (E_RNA)
where:
Base-Base interactions energy: -89.057
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.308
local terms energy: -58.561847
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -81.123446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.123446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.123446 (E_RNA)
where:
Base-Base interactions energy: -39.037
where: short stacking energy: -14.962
Base-Backbone interact. energy: -1.596
local terms energy: -40.490703
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: 3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -256.423814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.423814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.423814 (E_RNA)
where:
Base-Base interactions energy: -165.348
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.942
local terms energy: -90.132975
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -222.528381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.528381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.528381 (E_RNA)
where:
Base-Base interactions energy: -143.739
where: short stacking energy: -68.445
Base-Backbone interact. energy: -0.290
local terms energy: -78.500098
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -225.575442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.575442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.575442 (E_RNA)
where:
Base-Base interactions energy: -141.076
where: short stacking energy: -70.733
Base-Backbone interact. energy: -1.237
local terms energy: -83.262736
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -195.957984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.957984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.957984 (E_RNA)
where:
Base-Base interactions energy: -124.483
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.135
local terms energy: -71.339295
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -207.430004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.430004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.430004 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.025
local terms energy: -83.006398
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -181.063786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.063786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.063786 (E_RNA)
where:
Base-Base interactions energy: -119.407
where: short stacking energy: -50.559
Base-Backbone interact. energy: -0.159
local terms energy: -61.497667
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -110.471187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.471187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.471187 (E_RNA)
where:
Base-Base interactions energy: -50.726
where: short stacking energy: -38.798
Base-Backbone interact. energy: -0.115
local terms energy: -59.629681
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -143.708408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.708408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.708408 (E_RNA)
where:
Base-Base interactions energy: -80.276
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.071
local terms energy: -63.361267
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -88.670913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.670913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.670913 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -34.899
Base-Backbone interact. energy: -0.241
local terms energy: -51.945359
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -7.858
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -78.332466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.332466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.332466 (E_RNA)
where:
Base-Base interactions energy: -33.604
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.076
local terms energy: -44.652174
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: 3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -256.623066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.623066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.623066 (E_RNA)
where:
Base-Base interactions energy: -174.633
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.280
local terms energy: -81.709256
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -224.922473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.922473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.922473 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -71.965
Base-Backbone interact. energy: 0.134
local terms energy: -78.390973
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -20.061
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: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -229.164048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.164048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.164048 (E_RNA)
where:
Base-Base interactions energy: -158.520
where: short stacking energy: -76.350
Base-Backbone interact. energy: -0.014
local terms energy: -70.630152
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -212.088221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.088221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.088221 (E_RNA)
where:
Base-Base interactions energy: -132.415
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.217
local terms energy: -79.456135
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -13.471
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: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -200.223747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.223747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.223747 (E_RNA)
where:
Base-Base interactions energy: -128.743
where: short stacking energy: -60.258
Base-Backbone interact. energy: -0.095
local terms energy: -71.385820
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -12.384
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: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -188.198103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198103 (E_RNA)
where:
Base-Base interactions energy: -121.133
where: short stacking energy: -48.342
Base-Backbone interact. energy: -0.454
local terms energy: -66.610507
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -154.596432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.596432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.596432 (E_RNA)
where:
Base-Base interactions energy: -85.554
where: short stacking energy: -47.862
Base-Backbone interact. energy: -0.014
local terms energy: -69.029274
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -8.902
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: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -91.641307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.641307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.641307 (E_RNA)
where:
Base-Base interactions energy: -47.298
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.019
local terms energy: -44.323670
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: 4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -82.184841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184841 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -19.810
Base-Backbone interact. energy: -0.360
local terms energy: -38.870934
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: 11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -91.370764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.370764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.370764 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -24.440
Base-Backbone interact. energy: -0.392
local terms energy: -55.832108
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -255.612804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.612804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.612804 (E_RNA)
where:
Base-Base interactions energy: -166.204
where: short stacking energy: -68.957
Base-Backbone interact. energy: -1.025
local terms energy: -88.383553
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -235.168320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.168320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.168320 (E_RNA)
where:
Base-Base interactions energy: -152.473
where: short stacking energy: -74.985
Base-Backbone interact. energy: -0.030
local terms energy: -82.665286
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -19.025
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: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -222.515110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.515110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.515110 (E_RNA)
where:
Base-Base interactions energy: -147.463
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.136
local terms energy: -74.915939
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -210.111907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.111907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.111907 (E_RNA)
where:
Base-Base interactions energy: -135.645
where: short stacking energy: -59.175
Base-Backbone interact. energy: -0.055
local terms energy: -74.411768
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -14.783
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: 301
Temperature: 1.100000
Total energy: -203.418097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.418097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.418097 (E_RNA)
where:
Base-Base interactions energy: -130.570
where: short stacking energy: -50.496
Base-Backbone interact. energy: -0.840
local terms energy: -72.009068
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -13.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -164.032355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.032355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.032355 (E_RNA)
where:
Base-Base interactions energy: -110.174
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.166
local terms energy: -53.692503
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -166.856081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.856081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.856081 (E_RNA)
where:
Base-Base interactions energy: -109.044
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.198
local terms energy: -57.614591
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -14.545
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -100.464004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.464004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.464004 (E_RNA)
where:
Base-Base interactions energy: -48.036
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.416
local terms energy: -52.012203
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -86.135191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.135191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.135191 (E_RNA)
where:
Base-Base interactions energy: -44.188
where: short stacking energy: -26.278
Base-Backbone interact. energy: 0.073
local terms energy: -42.020037
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -7.650
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -3.205
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: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -82.506533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.506533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.506533 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.079
local terms energy: -50.165298
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -242.407953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.407953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.407953 (E_RNA)
where:
Base-Base interactions energy: -163.330
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.388
local terms energy: -78.689867
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -226.616091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.616091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.616091 (E_RNA)
where:
Base-Base interactions energy: -146.294
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.357
local terms energy: -79.964628
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -202.266690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.266690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.266690 (E_RNA)
where:
Base-Base interactions energy: -125.341
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.713
local terms energy: -76.213026
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -219.176061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.176061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.176061 (E_RNA)
where:
Base-Base interactions energy: -142.891
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.011
local terms energy: -76.273763
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -189.669620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.669620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.669620 (E_RNA)
where:
Base-Base interactions energy: -112.191
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.446
local terms energy: -77.032798
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -15.796
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: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -196.987075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.987075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.987075 (E_RNA)
where:
Base-Base interactions energy: -125.973
where: short stacking energy: -63.408
Base-Backbone interact. energy: 0.093
local terms energy: -71.107579
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -17.489
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: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -189.278644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.278644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.278644 (E_RNA)
where:
Base-Base interactions energy: -110.147
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.018
local terms energy: -79.113701
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -84.591088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.591088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.591088 (E_RNA)
where:
Base-Base interactions energy: -29.017
where: short stacking energy: -19.683
Base-Backbone interact. energy: -0.127
local terms energy: -55.447794
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -85.658039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.658039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.658039 (E_RNA)
where:
Base-Base interactions energy: -30.795
where: short stacking energy: -19.026
Base-Backbone interact. energy: -0.135
local terms energy: -54.728594
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -138.194566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.194566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.194566 (E_RNA)
where:
Base-Base interactions energy: -95.528
where: short stacking energy: -49.921
Base-Backbone interact. energy: -0.243
local terms energy: -42.423411
where:
bonds (distance) C4'-P energy: -5.202
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -245.981503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.981503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.981503 (E_RNA)
where:
Base-Base interactions energy: -161.796
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.824
local terms energy: -83.362281
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -232.457252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.457252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.457252 (E_RNA)
where:
Base-Base interactions energy: -147.162
where: short stacking energy: -70.581
Base-Backbone interact. energy: -0.592
local terms energy: -84.703152
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -210.426945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.426945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.426945 (E_RNA)
where:
Base-Base interactions energy: -135.547
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.038
local terms energy: -74.842322
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -217.129001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.129001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.129001 (E_RNA)
where:
Base-Base interactions energy: -138.288
where: short stacking energy: -63.020
Base-Backbone interact. energy: 0.137
local terms energy: -78.977750
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -16.704
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: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -168.156185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.156185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.156185 (E_RNA)
where:
Base-Base interactions energy: -101.953
where: short stacking energy: -48.811
Base-Backbone interact. energy: -0.740
local terms energy: -65.462499
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -180.597327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.597327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.597327 (E_RNA)
where:
Base-Base interactions energy: -111.443
where: short stacking energy: -58.784
Base-Backbone interact. energy: 0.143
local terms energy: -69.297320
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -12.690
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: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -177.476675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.476675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.476675 (E_RNA)
where:
Base-Base interactions energy: -106.232
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.146
local terms energy: -71.097875
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -98.086314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.086314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.086314 (E_RNA)
where:
Base-Base interactions energy: -42.387
where: short stacking energy: -35.720
Base-Backbone interact. energy: -0.070
local terms energy: -55.629162
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -80.129166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.129166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.129166 (E_RNA)
where:
Base-Base interactions energy: -35.031
where: short stacking energy: -31.441
Base-Backbone interact. energy: 1.862
local terms energy: -46.960591
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -135.856648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.856648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.856648 (E_RNA)
where:
Base-Base interactions energy: -82.771
where: short stacking energy: -33.699
Base-Backbone interact. energy: -0.549
local terms energy: -52.537263
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -4.556
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: 304
Temperature: 0.900000
Total energy: -239.037635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.037635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.037635 (E_RNA)
where:
Base-Base interactions energy: -144.459
where: short stacking energy: -71.313
Base-Backbone interact. energy: -0.001
local terms energy: -94.577507
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -24.126
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -249.311211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.311211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.311211 (E_RNA)
where:
Base-Base interactions energy: -165.599
where: short stacking energy: -66.579
Base-Backbone interact. energy: -1.400
local terms energy: -82.312433
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -18.471
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: 304
Temperature: 1.000000
Total energy: -221.203113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.203113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.203113 (E_RNA)
where:
Base-Base interactions energy: -141.842
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.008
local terms energy: -79.353461
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -211.459038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.459038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.459038 (E_RNA)
where:
Base-Base interactions energy: -131.730
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.019
local terms energy: -79.709696
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -199.103052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.103052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.103052 (E_RNA)
where:
Base-Base interactions energy: -118.493
where: short stacking energy: -61.776
Base-Backbone interact. energy: -0.024
local terms energy: -80.586264
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -189.688634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.688634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.688634 (E_RNA)
where:
Base-Base interactions energy: -120.064
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.120
local terms energy: -69.505168
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -156.152046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.152046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152046 (E_RNA)
where:
Base-Base interactions energy: -91.364
where: short stacking energy: -49.513
Base-Backbone interact. energy: -0.241
local terms energy: -64.546901
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -12.353
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: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -87.252304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.252304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.252304 (E_RNA)
where:
Base-Base interactions energy: -47.246
where: short stacking energy: -37.659
Base-Backbone interact. energy: -0.298
local terms energy: -39.708093
where:
bonds (distance) C4'-P energy: -4.896
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -5.477
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: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -105.588294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.588294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.588294 (E_RNA)
where:
Base-Base interactions energy: -50.519
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.310
local terms energy: -54.758998
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: 1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -84.214374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.214374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.214374 (E_RNA)
where:
Base-Base interactions energy: -35.626
where: short stacking energy: -24.398
Base-Backbone interact. energy: -0.209
local terms energy: -48.379155
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -251.662917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.662917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.662917 (E_RNA)
where:
Base-Base interactions energy: -160.845
where: short stacking energy: -79.849
Base-Backbone interact. energy: -0.140
local terms energy: -90.677750
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -244.750942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.750942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.750942 (E_RNA)
where:
Base-Base interactions energy: -166.720
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.617
local terms energy: -77.413530
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -215.753429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.753429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.753429 (E_RNA)
where:
Base-Base interactions energy: -129.946
where: short stacking energy: -51.418
Base-Backbone interact. energy: -0.298
local terms energy: -85.510090
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -208.637854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.637854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.637854 (E_RNA)
where:
Base-Base interactions energy: -137.497
where: short stacking energy: -64.593
Base-Backbone interact. energy: 1.061
local terms energy: -72.201704
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -14.606
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: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -204.188781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.188781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.188781 (E_RNA)
where:
Base-Base interactions energy: -127.733
where: short stacking energy: -55.993
Base-Backbone interact. energy: -1.182
local terms energy: -75.274437
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -172.074856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.074856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.074856 (E_RNA)
where:
Base-Base interactions energy: -110.121
where: short stacking energy: -53.047
Base-Backbone interact. energy: -0.243
local terms energy: -61.710063
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -175.267260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.267260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.267260 (E_RNA)
where:
Base-Base interactions energy: -99.150
where: short stacking energy: -47.532
Base-Backbone interact. energy: -0.455
local terms energy: -75.662649
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -110.711091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.711091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.711091 (E_RNA)
where:
Base-Base interactions energy: -47.078
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.055
local terms energy: -63.577761
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -83.550544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.550544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.550544 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -17.022
Base-Backbone interact. energy: -0.010
local terms energy: -54.113188
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -1.792
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: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -79.133493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133493 (E_RNA)
where:
Base-Base interactions energy: -31.766
where: short stacking energy: -17.888
Base-Backbone interact. energy: -1.225
local terms energy: -46.142283
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.649
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: 306
Temperature: 0.900000
Total energy: -254.622094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.622094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.622094 (E_RNA)
where:
Base-Base interactions energy: -176.135
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.165
local terms energy: -78.321316
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -19.203
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: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -244.046731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.046731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.046731 (E_RNA)
where:
Base-Base interactions energy: -158.054
where: short stacking energy: -78.392
Base-Backbone interact. energy: -0.006
local terms energy: -85.986618
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -203.500846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.500846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.500846 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.356
local terms energy: -73.333005
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.491
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: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -187.241712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.241712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.241712 (E_RNA)
where:
Base-Base interactions energy: -116.695
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.212
local terms energy: -70.335045
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -181.442479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.442479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.442479 (E_RNA)
where:
Base-Base interactions energy: -108.657
where: short stacking energy: -47.705
Base-Backbone interact. energy: 0.595
local terms energy: -73.379770
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -199.381769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.381769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.381769 (E_RNA)
where:
Base-Base interactions energy: -131.736
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.667
local terms energy: -66.978379
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -111.063208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.063208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.063208 (E_RNA)
where:
Base-Base interactions energy: -47.589
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.112
local terms energy: -63.362811
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -140.343446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.343446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.343446 (E_RNA)
where:
Base-Base interactions energy: -84.484
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.864
local terms energy: -54.994684
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -77.954868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.954868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.954868 (E_RNA)
where:
Base-Base interactions energy: -29.270
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.167
local terms energy: -48.517370
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -1.699
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -85.746742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746742 (E_RNA)
where:
Base-Base interactions energy: -33.215
where: short stacking energy: -17.648
Base-Backbone interact. energy: -0.050
local terms energy: -52.481864
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -1.113
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: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -258.178388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.178388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.178388 (E_RNA)
where:
Base-Base interactions energy: -175.837
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.509
local terms energy: -81.832329
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -221.728552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.728552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.728552 (E_RNA)
where:
Base-Base interactions energy: -140.226
where: short stacking energy: -61.588
Base-Backbone interact. energy: -0.013
local terms energy: -81.489565
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -218.903823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.903823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.903823 (E_RNA)
where:
Base-Base interactions energy: -138.088
where: short stacking energy: -67.112
Base-Backbone interact. energy: 1.422
local terms energy: -82.237565
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -16.139
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: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -200.104286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.104286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.104286 (E_RNA)
where:
Base-Base interactions energy: -124.663
where: short stacking energy: -62.173
Base-Backbone interact. energy: -1.294
local terms energy: -74.146652
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -15.294
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: 307
Temperature: 1.100000
Total energy: -207.233648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.233648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.233648 (E_RNA)
where:
Base-Base interactions energy: -138.310
where: short stacking energy: -61.734
Base-Backbone interact. energy: -0.005
local terms energy: -68.918883
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -17.750
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: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -192.827436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.827436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.827436 (E_RNA)
where:
Base-Base interactions energy: -126.127
where: short stacking energy: -54.864
Base-Backbone interact. energy: 0.148
local terms energy: -66.849120
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -109.257393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.257393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.257393 (E_RNA)
where:
Base-Base interactions energy: -45.722
where: short stacking energy: -33.739
Base-Backbone interact. energy: -0.107
local terms energy: -63.428825
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -5.846
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: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -139.393486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.393486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.393486 (E_RNA)
where:
Base-Base interactions energy: -82.379
where: short stacking energy: -41.170
Base-Backbone interact. energy: -0.385
local terms energy: -56.628869
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -84.081868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.081868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.081868 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -21.796
Base-Backbone interact. energy: 0.617
local terms energy: -49.827784
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: 2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -78.456864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.456864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.456864 (E_RNA)
where:
Base-Base interactions energy: -28.240
where: short stacking energy: -7.108
Base-Backbone interact. energy: 0.665
local terms energy: -50.882074
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -263.953961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.953961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.953961 (E_RNA)
where:
Base-Base interactions energy: -182.813
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.438
local terms energy: -80.702800
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -223.126169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.126169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.126169 (E_RNA)
where:
Base-Base interactions energy: -145.828
where: short stacking energy: -52.270
Base-Backbone interact. energy: -1.585
local terms energy: -75.712829
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -13.800
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: 308
Temperature: 1.000000
Total energy: -218.202999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.202999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.202999 (E_RNA)
where:
Base-Base interactions energy: -135.469
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.317
local terms energy: -82.417504
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -15.876
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: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -198.787486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.787486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.787486 (E_RNA)
where:
Base-Base interactions energy: -130.455
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.129
local terms energy: -68.203821
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -16.457
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: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -201.241640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.241640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.241640 (E_RNA)
where:
Base-Base interactions energy: -125.062
where: short stacking energy: -49.865
Base-Backbone interact. energy: -0.742
local terms energy: -75.436830
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -182.903837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.903837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.903837 (E_RNA)
where:
Base-Base interactions energy: -112.052
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.269
local terms energy: -70.582704
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -12.491
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: 308
Temperature: 1.200000
Total energy: -173.845996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.845996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.845996 (E_RNA)
where:
Base-Base interactions energy: -106.076
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.129
local terms energy: -67.640511
where:
bonds (distance) C4'-P energy: -7.961
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -92.054384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054384 (E_RNA)
where:
Base-Base interactions energy: -28.607
where: short stacking energy: -24.148
Base-Backbone interact. energy: -0.038
local terms energy: -63.409692
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -13.792
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: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -88.404294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.404294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.404294 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -29.264
Base-Backbone interact. energy: 0.998
local terms energy: -52.646572
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -5.758
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: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -79.955700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.955700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.955700 (E_RNA)
where:
Base-Base interactions energy: -26.361
where: short stacking energy: -18.313
Base-Backbone interact. energy: -1.294
local terms energy: -52.301270
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.990
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: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -246.648360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.648360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.648360 (E_RNA)
where:
Base-Base interactions energy: -154.717
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.572
local terms energy: -91.359382
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -19.315
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: 309
Temperature: 0.950000
Total energy: -216.452978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.452978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.452978 (E_RNA)
where:
Base-Base interactions energy: -143.756
where: short stacking energy: -59.173
Base-Backbone interact. energy: 0.915
local terms energy: -73.611327
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -216.250855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.250855 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -62.986
Base-Backbone interact. energy: -0.448
local terms energy: -69.304152
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -212.843266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.843266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.843266 (E_RNA)
where:
Base-Base interactions energy: -136.649
where: short stacking energy: -53.603
Base-Backbone interact. energy: -0.686
local terms energy: -75.508203
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -190.696782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.696782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.696782 (E_RNA)
where:
Base-Base interactions energy: -118.422
where: short stacking energy: -48.701
Base-Backbone interact. energy: -1.256
local terms energy: -71.018856
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -14.180
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: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -174.749795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.749795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.749795 (E_RNA)
where:
Base-Base interactions energy: -107.556
where: short stacking energy: -46.069
Base-Backbone interact. energy: -1.309
local terms energy: -65.884889
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -13.501
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: 309
Temperature: 1.200000
Total energy: -170.137465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.137465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.137465 (E_RNA)
where:
Base-Base interactions energy: -100.898
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.178
local terms energy: -69.061632
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -90.959259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959259 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -24.684
Base-Backbone interact. energy: -0.182
local terms energy: -59.734168
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: 0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -97.468829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.468829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.468829 (E_RNA)
where:
Base-Base interactions energy: -34.210
where: short stacking energy: -34.111
Base-Backbone interact. energy: -0.096
local terms energy: -63.163464
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -7.646
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: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -91.855537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.855537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.855537 (E_RNA)
where:
Base-Base interactions energy: -40.561
where: short stacking energy: -40.561
Base-Backbone interact. energy: -0.032
local terms energy: -51.262425
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -255.586932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.586932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.586932 (E_RNA)
where:
Base-Base interactions energy: -169.894
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.307
local terms energy: -85.386007
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -19.989
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: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -217.003425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.003425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.003425 (E_RNA)
where:
Base-Base interactions energy: -138.656
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.246
local terms energy: -78.101368
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -7.509
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: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -223.763043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.763043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.763043 (E_RNA)
where:
Base-Base interactions energy: -151.049
where: short stacking energy: -56.815
Base-Backbone interact. energy: -0.634
local terms energy: -72.079479
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -213.715015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.715015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.715015 (E_RNA)
where:
Base-Base interactions energy: -133.533
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.243
local terms energy: -79.938817
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -185.445061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.445061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.445061 (E_RNA)
where:
Base-Base interactions energy: -115.048
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.086
local terms energy: -70.311001
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -191.203670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.203670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.203670 (E_RNA)
where:
Base-Base interactions energy: -129.330
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.381
local terms energy: -61.493244
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -202.086275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.086275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.086275 (E_RNA)
where:
Base-Base interactions energy: -125.491
where: short stacking energy: -67.587
Base-Backbone interact. energy: -0.026
local terms energy: -76.569640
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -20.896
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: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -96.140144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.140144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.140144 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -34.905
Base-Backbone interact. energy: -0.115
local terms energy: -59.112568
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.821
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: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -86.693981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.693981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.693981 (E_RNA)
where:
Base-Base interactions energy: -26.524
where: short stacking energy: -26.524
Base-Backbone interact. energy: -0.226
local terms energy: -59.944426
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -3.509
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: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -82.972977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.972977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.972977 (E_RNA)
where:
Base-Base interactions energy: -32.003
where: short stacking energy: -30.718
Base-Backbone interact. energy: -1.369
local terms energy: -49.601612
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -2.043
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -254.918668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.918668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.918668 (E_RNA)
where:
Base-Base interactions energy: -170.918
where: short stacking energy: -72.324
Base-Backbone interact. energy: -0.516
local terms energy: -83.484013
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -22.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -220.851139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.851139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.851139 (E_RNA)
where:
Base-Base interactions energy: -149.144
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.012
local terms energy: -71.695504
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -209.583532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.583532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.583532 (E_RNA)
where:
Base-Base interactions energy: -127.179
where: short stacking energy: -59.510
Base-Backbone interact. energy: -0.188
local terms energy: -82.216579
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -222.895152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.895152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.895152 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -63.727
Base-Backbone interact. energy: -0.112
local terms energy: -81.923570
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -199.760939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.760939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.760939 (E_RNA)
where:
Base-Base interactions energy: -133.291
where: short stacking energy: -63.928
Base-Backbone interact. energy: -0.263
local terms energy: -66.206219
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -186.013808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.013808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.013808 (E_RNA)
where:
Base-Base interactions energy: -124.559
where: short stacking energy: -62.140
Base-Backbone interact. energy: 0.469
local terms energy: -61.923361
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -168.489397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.489397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.489397 (E_RNA)
where:
Base-Base interactions energy: -104.732
where: short stacking energy: -41.490
Base-Backbone interact. energy: 2.257
local terms energy: -66.014708
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -88.477903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.477903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.477903 (E_RNA)
where:
Base-Base interactions energy: -33.492
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.352
local terms energy: -54.634448
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -80.417915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417915 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -21.098
Base-Backbone interact. energy: -0.467
local terms energy: -45.158707
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -1.304
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -81.213771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.213771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.213771 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -25.269
Base-Backbone interact. energy: -1.444
local terms energy: -51.208083
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -7.777
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: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -252.250673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.250673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.250673 (E_RNA)
where:
Base-Base interactions energy: -171.437
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.229
local terms energy: -80.584660
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -19.960
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: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -226.905047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.905047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.905047 (E_RNA)
where:
Base-Base interactions energy: -148.960
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.132
local terms energy: -77.813422
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -195.813721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.813721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.813721 (E_RNA)
where:
Base-Base interactions energy: -125.388
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.168
local terms energy: -70.257334
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -219.574282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.574282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.574282 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -57.151
Base-Backbone interact. energy: -0.182
local terms energy: -84.085668
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -14.182
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: 312
Temperature: 1.100000
Total energy: -187.191301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.191301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.191301 (E_RNA)
where:
Base-Base interactions energy: -113.084
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.806
local terms energy: -73.301164
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -189.375422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.375422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.375422 (E_RNA)
where:
Base-Base interactions energy: -116.621
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.013
local terms energy: -72.741221
where:
bonds (distance) C4'-P energy: -8.132
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -17.108
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -96.108851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.108851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.108851 (E_RNA)
where:
Base-Base interactions energy: -52.031
where: short stacking energy: -30.728
Base-Backbone interact. energy: -0.152
local terms energy: -43.925370
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -0.364
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: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -164.994396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.994396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.994396 (E_RNA)
where:
Base-Base interactions energy: -105.078
where: short stacking energy: -47.575
Base-Backbone interact. energy: -1.545
local terms energy: -58.371477
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -132.213074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.213074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.213074 (E_RNA)
where:
Base-Base interactions energy: -79.052
where: short stacking energy: -38.636
Base-Backbone interact. energy: 1.985
local terms energy: -55.146059
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -83.429502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.429502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.429502 (E_RNA)
where:
Base-Base interactions energy: -23.981
where: short stacking energy: -24.433
Base-Backbone interact. energy: -0.267
local terms energy: -59.181843
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -4.596
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: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -255.878943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.878943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.878943 (E_RNA)
where:
Base-Base interactions energy: -178.328
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.313
local terms energy: -77.238328
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -219.896441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.896441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.896441 (E_RNA)
where:
Base-Base interactions energy: -141.427
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.087
local terms energy: -78.382551
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -205.898584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.898584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.898584 (E_RNA)
where:
Base-Base interactions energy: -133.817
where: short stacking energy: -66.460
Base-Backbone interact. energy: -0.002
local terms energy: -72.079695
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -190.552488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.552488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.552488 (E_RNA)
where:
Base-Base interactions energy: -118.155
where: short stacking energy: -58.086
Base-Backbone interact. energy: 0.175
local terms energy: -72.572245
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -207.134922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.134922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.134922 (E_RNA)
where:
Base-Base interactions energy: -132.652
where: short stacking energy: -61.998
Base-Backbone interact. energy: -1.111
local terms energy: -73.371981
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -13.763
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: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -103.500601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.500601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.500601 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -37.057
Base-Backbone interact. energy: 0.420
local terms energy: -66.863650
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -8.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -176.165305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.165305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.165305 (E_RNA)
where:
Base-Base interactions energy: -102.340
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.591
local terms energy: -73.234879
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -8.914
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: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -148.150366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.150366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.150366 (E_RNA)
where:
Base-Base interactions energy: -80.786
where: short stacking energy: -37.328
Base-Backbone interact. energy: 0.503
local terms energy: -67.868101
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -5.252
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: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -142.722320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.722320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.722320 (E_RNA)
where:
Base-Base interactions energy: -78.747
where: short stacking energy: -41.856
Base-Backbone interact. energy: 1.061
local terms energy: -65.037168
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -10.368
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: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -81.312653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.312653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.312653 (E_RNA)
where:
Base-Base interactions energy: -24.591
where: short stacking energy: -24.137
Base-Backbone interact. energy: 0.374
local terms energy: -57.095847
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -257.206234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.206234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.206234 (E_RNA)
where:
Base-Base interactions energy: -173.021
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.275
local terms energy: -83.910704
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -20.293
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -227.620851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.620851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.620851 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.998
local terms energy: -74.702128
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -16.972
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: 314
Temperature: 1.000000
Total energy: -207.741980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.741980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.741980 (E_RNA)
where:
Base-Base interactions energy: -129.575
where: short stacking energy: -59.201
Base-Backbone interact. energy: -0.093
local terms energy: -78.074145
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -16.576
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: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -203.846661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.846661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.846661 (E_RNA)
where:
Base-Base interactions energy: -124.357
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.011
local terms energy: -79.478513
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -21.242
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -201.531161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.531161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.531161 (E_RNA)
where:
Base-Base interactions energy: -135.868
where: short stacking energy: -61.619
Base-Backbone interact. energy: 0.047
local terms energy: -65.710141
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -113.360435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.360435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.360435 (E_RNA)
where:
Base-Base interactions energy: -55.277
where: short stacking energy: -37.277
Base-Backbone interact. energy: -0.162
local terms energy: -57.921870
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -168.384001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.384001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.384001 (E_RNA)
where:
Base-Base interactions energy: -97.860
where: short stacking energy: -50.917
Base-Backbone interact. energy: -0.183
local terms energy: -70.341197
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -164.528378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.528378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.528378 (E_RNA)
where:
Base-Base interactions energy: -100.845
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.507
local terms energy: -63.176717
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -9.977
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: 314
Temperature: 1.300000
Total energy: -158.257610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.257610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.257610 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -39.523
Base-Backbone interact. energy: 0.054
local terms energy: -55.265346
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -9.706
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: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -73.221495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.221495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.221495 (E_RNA)
where:
Base-Base interactions energy: -21.179
where: short stacking energy: -17.936
Base-Backbone interact. energy: -0.250
local terms energy: -51.792310
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: 5.208
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: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -252.632998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.632998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.632998 (E_RNA)
where:
Base-Base interactions energy: -171.638
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.512
local terms energy: -80.482035
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -237.995340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.995340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.995340 (E_RNA)
where:
Base-Base interactions energy: -145.753
where: short stacking energy: -62.978
Base-Backbone interact. energy: -1.456
local terms energy: -90.786614
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -218.139288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.139288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.139288 (E_RNA)
where:
Base-Base interactions energy: -138.556
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.469
local terms energy: -79.114567
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -186.449431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.449431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.449431 (E_RNA)
where:
Base-Base interactions energy: -114.266
where: short stacking energy: -49.044
Base-Backbone interact. energy: -0.144
local terms energy: -72.038948
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -11.327
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: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -203.861766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.861766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.861766 (E_RNA)
where:
Base-Base interactions energy: -130.660
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.068
local terms energy: -73.133224
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -16.432
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: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -193.202561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.202561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.202561 (E_RNA)
where:
Base-Base interactions energy: -117.480
where: short stacking energy: -51.854
Base-Backbone interact. energy: -0.020
local terms energy: -75.702178
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -100.687147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.687147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.687147 (E_RNA)
where:
Base-Base interactions energy: -49.888
where: short stacking energy: -25.767
Base-Backbone interact. energy: 1.032
local terms energy: -51.831371
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -159.732770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.732770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.732770 (E_RNA)
where:
Base-Base interactions energy: -106.950
where: short stacking energy: -51.850
Base-Backbone interact. energy: -0.430
local terms energy: -52.352720
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -152.050336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.050336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.050336 (E_RNA)
where:
Base-Base interactions energy: -88.186
where: short stacking energy: -41.487
Base-Backbone interact. energy: -0.590
local terms energy: -63.273962
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -79.563081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.563081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.563081 (E_RNA)
where:
Base-Base interactions energy: -33.070
where: short stacking energy: -31.719
Base-Backbone interact. energy: 0.950
local terms energy: -47.443190
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -254.919263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.919263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.919263 (E_RNA)
where:
Base-Base interactions energy: -162.715
where: short stacking energy: -69.823
Base-Backbone interact. energy: -1.205
local terms energy: -91.000034
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -24.336
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: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -245.585990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.585990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.585990 (E_RNA)
where:
Base-Base interactions energy: -154.736
where: short stacking energy: -72.875
Base-Backbone interact. energy: -0.834
local terms energy: -90.015801
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -206.030280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.030280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.030280 (E_RNA)
where:
Base-Base interactions energy: -126.073
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.240
local terms energy: -79.717357
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -178.661771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.661771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.661771 (E_RNA)
where:
Base-Base interactions energy: -112.897
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.003
local terms energy: -65.761534
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.962
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: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -164.280084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.280084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.280084 (E_RNA)
where:
Base-Base interactions energy: -94.087
where: short stacking energy: -38.785
Base-Backbone interact. energy: -0.044
local terms energy: -70.149127
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -6.611
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: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -199.822187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.822187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.822187 (E_RNA)
where:
Base-Base interactions energy: -124.602
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.018
local terms energy: -75.202618
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -158.063777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.063777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.063777 (E_RNA)
where:
Base-Base interactions energy: -98.197
where: short stacking energy: -38.208
Base-Backbone interact. energy: -0.499
local terms energy: -59.367964
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -82.852760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.852760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.852760 (E_RNA)
where:
Base-Base interactions energy: -41.262
where: short stacking energy: -22.951
Base-Backbone interact. energy: 0.022
local terms energy: -41.613454
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -85.604811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.604811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.604811 (E_RNA)
where:
Base-Base interactions energy: -38.763
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.147
local terms energy: -46.694900
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -8.036
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: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -94.664926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.664926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.664926 (E_RNA)
where:
Base-Base interactions energy: -42.908
where: short stacking energy: -30.483
Base-Backbone interact. energy: -0.546
local terms energy: -51.211019
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: 1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -256.614009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.614009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.614009 (E_RNA)
where:
Base-Base interactions energy: -166.469
where: short stacking energy: -71.831
Base-Backbone interact. energy: 0.099
local terms energy: -90.244075
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -226.944623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.944623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.944623 (E_RNA)
where:
Base-Base interactions energy: -147.506
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.307
local terms energy: -79.131419
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -18.321
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: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -208.006728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.006728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.006728 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -70.773
Base-Backbone interact. energy: 0.236
local terms energy: -75.856205
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -181.262093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.262093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.262093 (E_RNA)
where:
Base-Base interactions energy: -114.703
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.618
local terms energy: -65.940600
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -12.172
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: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -195.799048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.799048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.799048 (E_RNA)
where:
Base-Base interactions energy: -127.496
where: short stacking energy: -63.535
Base-Backbone interact. energy: -0.262
local terms energy: -68.041049
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -176.408308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.408308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.408308 (E_RNA)
where:
Base-Base interactions energy: -105.705
where: short stacking energy: -56.631
Base-Backbone interact. energy: -0.265
local terms energy: -70.437788
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -197.533888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.533888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.533888 (E_RNA)
where:
Base-Base interactions energy: -131.774
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.060
local terms energy: -65.700532
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -95.025093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.025093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.025093 (E_RNA)
where:
Base-Base interactions energy: -27.715
where: short stacking energy: -26.691
Base-Backbone interact. energy: -0.146
local terms energy: -67.164344
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -13.319
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: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -94.158844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.158844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.158844 (E_RNA)
where:
Base-Base interactions energy: -41.072
where: short stacking energy: -29.492
Base-Backbone interact. energy: -0.457
local terms energy: -52.629458
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -77.310698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.310698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.310698 (E_RNA)
where:
Base-Base interactions energy: -23.622
where: short stacking energy: -22.883
Base-Backbone interact. energy: -0.076
local terms energy: -53.612884
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 1.462
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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -250.511694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.511694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.511694 (E_RNA)
where:
Base-Base interactions energy: -165.705
where: short stacking energy: -61.844
Base-Backbone interact. energy: -0.318
local terms energy: -84.488677
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -20.963
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: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -227.141994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.141994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.141994 (E_RNA)
where:
Base-Base interactions energy: -147.072
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.304
local terms energy: -79.765854
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -210.237854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.237854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.237854 (E_RNA)
where:
Base-Base interactions energy: -131.257
where: short stacking energy: -73.750
Base-Backbone interact. energy: -0.006
local terms energy: -78.974864
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -20.178
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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -201.888622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.888622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.888622 (E_RNA)
where:
Base-Base interactions energy: -121.436
where: short stacking energy: -62.708
Base-Backbone interact. energy: -0.043
local terms energy: -80.408762
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -9.295
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: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -199.964549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.964549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.964549 (E_RNA)
where:
Base-Base interactions energy: -120.742
where: short stacking energy: -60.916
Base-Backbone interact. energy: -0.160
local terms energy: -79.062802
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -173.261474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.261474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.261474 (E_RNA)
where:
Base-Base interactions energy: -100.956
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.067
local terms energy: -72.238307
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -206.024461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.024461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.024461 (E_RNA)
where:
Base-Base interactions energy: -128.070
where: short stacking energy: -59.567
Base-Backbone interact. energy: 0.974
local terms energy: -78.927573
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -116.031872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.031872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.031872 (E_RNA)
where:
Base-Base interactions energy: -60.583
where: short stacking energy: -40.517
Base-Backbone interact. energy: 0.180
local terms energy: -55.629348
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -6.331
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: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -93.255911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.255911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.255911 (E_RNA)
where:
Base-Base interactions energy: -38.330
where: short stacking energy: -38.330
Base-Backbone interact. energy: -0.082
local terms energy: -54.843972
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -87.774505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.774505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.774505 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -35.256
Base-Backbone interact. energy: 0.235
local terms energy: -52.753440
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -255.836338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.836338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.836338 (E_RNA)
where:
Base-Base interactions energy: -170.466
where: short stacking energy: -69.932
Base-Backbone interact. energy: -0.606
local terms energy: -84.764016
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -223.989655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.989655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.989655 (E_RNA)
where:
Base-Base interactions energy: -144.097
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.626
local terms energy: -79.266089
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -230.627674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.627674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.627674 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -69.465
Base-Backbone interact. energy: -0.177
local terms energy: -82.737967
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -207.004735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.004735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.004735 (E_RNA)
where:
Base-Base interactions energy: -133.595
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.183
local terms energy: -73.226979
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -186.426570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.426570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.426570 (E_RNA)
where:
Base-Base interactions energy: -106.122
where: short stacking energy: -46.732
Base-Backbone interact. energy: -1.783
local terms energy: -78.520737
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -201.957580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.957580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.957580 (E_RNA)
where:
Base-Base interactions energy: -135.122
where: short stacking energy: -63.756
Base-Backbone interact. energy: 0.141
local terms energy: -66.976669
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -150.656881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.656881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.656881 (E_RNA)
where:
Base-Base interactions energy: -94.585
where: short stacking energy: -35.318
Base-Backbone interact. energy: 0.919
local terms energy: -56.990598
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -8.433
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: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -89.322589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.322589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.322589 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.185
local terms energy: -53.886707
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -90.598720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.598720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.598720 (E_RNA)
where:
Base-Base interactions energy: -39.543
where: short stacking energy: -29.338
Base-Backbone interact. energy: -1.082
local terms energy: -49.974245
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -84.559436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.559436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.559436 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -19.162
Base-Backbone interact. energy: -0.462
local terms energy: -46.137004
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: 1.910
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: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -255.017030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.017030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.017030 (E_RNA)
where:
Base-Base interactions energy: -174.076
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.038
local terms energy: -80.903114
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -22.859
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: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -218.393680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.393680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.393680 (E_RNA)
where:
Base-Base interactions energy: -144.337
where: short stacking energy: -56.933
Base-Backbone interact. energy: 1.749
local terms energy: -75.805698
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -209.481834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.481834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.481834 (E_RNA)
where:
Base-Base interactions energy: -135.164
where: short stacking energy: -71.311
Base-Backbone interact. energy: -0.029
local terms energy: -74.289214
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -218.515495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.515495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.515495 (E_RNA)
where:
Base-Base interactions energy: -134.268
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.169
local terms energy: -84.078790
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -209.414340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.414340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.414340 (E_RNA)
where:
Base-Base interactions energy: -135.867
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.396
local terms energy: -73.151118
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -197.334350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.334350 (E_RNA)
where:
Base-Base interactions energy: -133.545
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.059
local terms energy: -63.729928
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -158.476955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.476955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.476955 (E_RNA)
where:
Base-Base interactions energy: -98.283
where: short stacking energy: -43.109
Base-Backbone interact. energy: -0.478
local terms energy: -59.715890
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -9.139
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: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -97.424562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.424562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.424562 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.034
local terms energy: -52.833781
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -94.838785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.838785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.838785 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.403
local terms energy: -59.006439
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -10.596
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: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -84.370596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370596 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.886
local terms energy: -54.521750
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -10.227
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -260.145276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.145276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.145276 (E_RNA)
where:
Base-Base interactions energy: -176.123
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.276
local terms energy: -83.746133
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -225.826544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.826544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.826544 (E_RNA)
where:
Base-Base interactions energy: -143.046
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.171
local terms energy: -82.609835
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -221.359487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.359487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.359487 (E_RNA)
where:
Base-Base interactions energy: -139.449
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.347
local terms energy: -81.563993
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -215.182898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.182898 (E_RNA)
where:
Base-Base interactions energy: -139.645
where: short stacking energy: -68.139
Base-Backbone interact. energy: 0.922
local terms energy: -76.459731
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -207.300905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.300905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.300905 (E_RNA)
where:
Base-Base interactions energy: -127.885
where: short stacking energy: -65.514
Base-Backbone interact. energy: -0.024
local terms energy: -79.392688
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -18.134
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: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -181.323582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.323582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.323582 (E_RNA)
where:
Base-Base interactions energy: -117.812
where: short stacking energy: -49.637
Base-Backbone interact. energy: -0.989
local terms energy: -62.523019
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -171.111382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.111382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.111382 (E_RNA)
where:
Base-Base interactions energy: -111.058
where: short stacking energy: -48.128
Base-Backbone interact. energy: -0.317
local terms energy: -59.735613
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -101.057571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.057571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.057571 (E_RNA)
where:
Base-Base interactions energy: -41.130
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.304
local terms energy: -59.623032
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -100.889946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.889946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.889946 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -21.396
Base-Backbone interact. energy: 0.691
local terms energy: -62.356477
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -79.384770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384770 (E_RNA)
where:
Base-Base interactions energy: -33.450
where: short stacking energy: -26.480
Base-Backbone interact. energy: 0.289
local terms energy: -46.224280
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -0.863
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -258.883034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.883034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.883034 (E_RNA)
where:
Base-Base interactions energy: -181.918
where: short stacking energy: -67.577
Base-Backbone interact. energy: -0.736
local terms energy: -76.229101
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -226.189934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.189934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.189934 (E_RNA)
where:
Base-Base interactions energy: -141.915
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.091
local terms energy: -84.183364
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -21.558
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: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -219.740297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.740297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.740297 (E_RNA)
where:
Base-Base interactions energy: -142.112
where: short stacking energy: -64.969
Base-Backbone interact. energy: -1.456
local terms energy: -76.172613
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -202.088065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.088065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.088065 (E_RNA)
where:
Base-Base interactions energy: -128.501
where: short stacking energy: -63.994
Base-Backbone interact. energy: -0.073
local terms energy: -73.514109
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -207.226670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.226670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.226670 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.135
local terms energy: -75.576027
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -197.929830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.929830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.929830 (E_RNA)
where:
Base-Base interactions energy: -117.965
where: short stacking energy: -67.079
Base-Backbone interact. energy: -0.057
local terms energy: -79.907757
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -18.249
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: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -147.739328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.739328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.739328 (E_RNA)
where:
Base-Base interactions energy: -79.762
where: short stacking energy: -34.739
Base-Backbone interact. energy: -0.295
local terms energy: -67.682305
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -107.713595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.713595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.713595 (E_RNA)
where:
Base-Base interactions energy: -47.662
where: short stacking energy: -35.150
Base-Backbone interact. energy: -0.433
local terms energy: -59.618647
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -89.356401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.356401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.356401 (E_RNA)
where:
Base-Base interactions energy: -36.849
where: short stacking energy: -25.468
Base-Backbone interact. energy: -0.851
local terms energy: -51.656189
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: 2.893
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: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -80.458620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.458620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.458620 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -20.991
Base-Backbone interact. energy: -0.412
local terms energy: -50.410272
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: 0.903
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: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -257.063360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.063360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.063360 (E_RNA)
where:
Base-Base interactions energy: -174.204
where: short stacking energy: -59.921
Base-Backbone interact. energy: -0.691
local terms energy: -82.168336
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -19.231
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: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -238.985567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.985567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.985567 (E_RNA)
where:
Base-Base interactions energy: -164.570
where: short stacking energy: -69.646
Base-Backbone interact. energy: -0.015
local terms energy: -74.400436
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -207.539928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.539928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.539928 (E_RNA)
where:
Base-Base interactions energy: -126.010
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.805
local terms energy: -80.724281
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -196.953488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.953488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.953488 (E_RNA)
where:
Base-Base interactions energy: -118.911
where: short stacking energy: -52.815
Base-Backbone interact. energy: -0.050
local terms energy: -77.992259
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -206.741189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.741189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.741189 (E_RNA)
where:
Base-Base interactions energy: -133.226
where: short stacking energy: -54.896
Base-Backbone interact. energy: -0.603
local terms energy: -72.912960
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -13.763
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: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -182.454928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.454928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.454928 (E_RNA)
where:
Base-Base interactions energy: -108.989
where: short stacking energy: -47.822
Base-Backbone interact. energy: -1.051
local terms energy: -72.414513
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -12.747
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: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -154.593849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.593849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.593849 (E_RNA)
where:
Base-Base interactions energy: -81.765
where: short stacking energy: -39.482
Base-Backbone interact. energy: -0.114
local terms energy: -72.714719
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -91.288136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.288136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.288136 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -30.200
Base-Backbone interact. energy: -0.037
local terms energy: -57.724180
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.392
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: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -85.004121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.004121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.004121 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -19.984
Base-Backbone interact. energy: -0.558
local terms energy: -54.298457
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -79.377622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.377622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.377622 (E_RNA)
where:
Base-Base interactions energy: -31.715
where: short stacking energy: -22.135
Base-Backbone interact. energy: -0.157
local terms energy: -47.505036
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -256.833653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.833653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.833653 (E_RNA)
where:
Base-Base interactions energy: -175.275
where: short stacking energy: -73.275
Base-Backbone interact. energy: 0.225
local terms energy: -81.783692
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -228.165804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.165804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.165804 (E_RNA)
where:
Base-Base interactions energy: -142.244
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.087
local terms energy: -85.834876
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -205.730986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.730986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.730986 (E_RNA)
where:
Base-Base interactions energy: -138.009
where: short stacking energy: -57.988
Base-Backbone interact. energy: -0.474
local terms energy: -67.247908
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -8.187
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: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -203.201676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.201676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.201676 (E_RNA)
where:
Base-Base interactions energy: -143.283
where: short stacking energy: -67.552
Base-Backbone interact. energy: 2.419
local terms energy: -62.337352
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -180.107171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.107171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.107171 (E_RNA)
where:
Base-Base interactions energy: -103.387
where: short stacking energy: -43.962
Base-Backbone interact. energy: -0.139
local terms energy: -76.580366
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -191.706199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.706199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.706199 (E_RNA)
where:
Base-Base interactions energy: -124.874
where: short stacking energy: -51.157
Base-Backbone interact. energy: -0.105
local terms energy: -66.727594
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -152.805285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.805285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.805285 (E_RNA)
where:
Base-Base interactions energy: -96.418
where: short stacking energy: -47.540
Base-Backbone interact. energy: -0.037
local terms energy: -56.349824
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -104.103354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.103354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.103354 (E_RNA)
where:
Base-Base interactions energy: -46.482
where: short stacking energy: -34.469
Base-Backbone interact. energy: -0.109
local terms energy: -57.512916
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -89.230659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.230659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.230659 (E_RNA)
where:
Base-Base interactions energy: -40.833
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.261
local terms energy: -48.136360
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -8.172
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -11.910
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: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -89.045705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.045705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.045705 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -30.558
Base-Backbone interact. energy: -0.081
local terms energy: -58.406515
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -266.574499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.574499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.574499 (E_RNA)
where:
Base-Base interactions energy: -186.307
where: short stacking energy: -70.023
Base-Backbone interact. energy: 1.796
local terms energy: -82.063309
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -224.624512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.624512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.624512 (E_RNA)
where:
Base-Base interactions energy: -152.407
where: short stacking energy: -61.669
Base-Backbone interact. energy: -0.739
local terms energy: -71.479010
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -210.209734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.209734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.209734 (E_RNA)
where:
Base-Base interactions energy: -136.069
where: short stacking energy: -54.859
Base-Backbone interact. energy: -0.044
local terms energy: -74.096883
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -193.236489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.236489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.236489 (E_RNA)
where:
Base-Base interactions energy: -120.214
where: short stacking energy: -55.780
Base-Backbone interact. energy: -0.085
local terms energy: -72.937091
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -174.510925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.510925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.510925 (E_RNA)
where:
Base-Base interactions energy: -111.639
where: short stacking energy: -46.224
Base-Backbone interact. energy: -0.757
local terms energy: -62.115083
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.372
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: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -177.013462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.013462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.013462 (E_RNA)
where:
Base-Base interactions energy: -106.008
where: short stacking energy: -44.608
Base-Backbone interact. energy: -0.548
local terms energy: -70.458242
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -13.301
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: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -160.556315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.556315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.556315 (E_RNA)
where:
Base-Base interactions energy: -95.050
where: short stacking energy: -45.446
Base-Backbone interact. energy: -0.010
local terms energy: -65.496820
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -94.488256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.488256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.488256 (E_RNA)
where:
Base-Base interactions energy: -46.984
where: short stacking energy: -31.888
Base-Backbone interact. energy: -0.383
local terms energy: -47.120984
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -90.912641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.912641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.912641 (E_RNA)
where:
Base-Base interactions energy: -30.859
where: short stacking energy: -27.975
Base-Backbone interact. energy: -1.360
local terms energy: -58.693780
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.195
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: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -73.123975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.123975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.123975 (E_RNA)
where:
Base-Base interactions energy: -20.679
where: short stacking energy: -19.020
Base-Backbone interact. energy: 0.958
local terms energy: -53.402982
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: 5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -260.349841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.349841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.349841 (E_RNA)
where:
Base-Base interactions energy: -183.593
where: short stacking energy: -73.004
Base-Backbone interact. energy: -1.076
local terms energy: -75.680599
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -16.959
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: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -229.250107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.250107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.250107 (E_RNA)
where:
Base-Base interactions energy: -147.994
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.119
local terms energy: -81.137200
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -216.958090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.958090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.958090 (E_RNA)
where:
Base-Base interactions energy: -131.999
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.271
local terms energy: -84.687760
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -209.376673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.376673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.376673 (E_RNA)
where:
Base-Base interactions energy: -136.810
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.308
local terms energy: -72.259389
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -185.887377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.887377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.887377 (E_RNA)
where:
Base-Base interactions energy: -110.609
where: short stacking energy: -51.981
Base-Backbone interact. energy: -0.044
local terms energy: -75.234192
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -202.703616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.703616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.703616 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -65.451
Base-Backbone interact. energy: -1.053
local terms energy: -71.590376
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -154.552700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.552700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.552700 (E_RNA)
where:
Base-Base interactions energy: -101.361
where: short stacking energy: -46.805
Base-Backbone interact. energy: 1.868
local terms energy: -55.060126
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.934
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: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -93.468048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.468048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.468048 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -24.225
Base-Backbone interact. energy: -0.124
local terms energy: -52.543533
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -89.914932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.914932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.914932 (E_RNA)
where:
Base-Base interactions energy: -40.145
where: short stacking energy: -36.142
Base-Backbone interact. energy: -0.350
local terms energy: -49.419831
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -1.792
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -81.873485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.873485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.873485 (E_RNA)
where:
Base-Base interactions energy: -25.318
where: short stacking energy: -20.400
Base-Backbone interact. energy: -0.836
local terms energy: -55.719870
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: 0.405
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: 327
Temperature: 0.900000
Total energy: -257.947786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.947786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.947786 (E_RNA)
where:
Base-Base interactions energy: -177.706
where: short stacking energy: -70.075
Base-Backbone interact. energy: -1.015
local terms energy: -79.226857
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -203.655521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.655521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.655521 (E_RNA)
where:
Base-Base interactions energy: -126.602
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.446
local terms energy: -76.607881
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -12.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -220.488274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.488274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.488274 (E_RNA)
where:
Base-Base interactions energy: -147.141
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.178
local terms energy: -73.169157
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -192.014665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.014665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.014665 (E_RNA)
where:
Base-Base interactions energy: -115.552
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.080
local terms energy: -76.382463
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -216.175675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175675 (E_RNA)
where:
Base-Base interactions energy: -137.881
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.049
local terms energy: -78.246119
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -192.901672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.901672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.901672 (E_RNA)
where:
Base-Base interactions energy: -124.664
where: short stacking energy: -63.188
Base-Backbone interact. energy: 0.091
local terms energy: -68.329120
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -144.678132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.678132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.678132 (E_RNA)
where:
Base-Base interactions energy: -80.112
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.127
local terms energy: -64.438938
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -90.164018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.164018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.164018 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.156
local terms energy: -55.692934
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -1.635
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: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -89.671913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.671913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.671913 (E_RNA)
where:
Base-Base interactions energy: -36.099
where: short stacking energy: -18.496
Base-Backbone interact. energy: 1.121
local terms energy: -54.694121
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: 2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -87.143366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143366 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -31.241
Base-Backbone interact. energy: -0.586
local terms energy: -49.840291
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -260.438801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.438801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.438801 (E_RNA)
where:
Base-Base interactions energy: -187.490
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.887
local terms energy: -72.061854
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -17.905
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: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -226.335372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.335372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.335372 (E_RNA)
where:
Base-Base interactions energy: -146.262
where: short stacking energy: -67.012
Base-Backbone interact. energy: -0.005
local terms energy: -80.068980
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -221.799122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799122 (E_RNA)
where:
Base-Base interactions energy: -149.954
where: short stacking energy: -59.158
Base-Backbone interact. energy: -0.275
local terms energy: -71.570306
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -205.484704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.484704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.484704 (E_RNA)
where:
Base-Base interactions energy: -136.357
where: short stacking energy: -63.482
Base-Backbone interact. energy: -0.417
local terms energy: -68.710372
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -15.670
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: 328
Temperature: 1.100000
Total energy: -188.303866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.303866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.303866 (E_RNA)
where:
Base-Base interactions energy: -113.567
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.089
local terms energy: -74.647685
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -208.023665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.023665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.023665 (E_RNA)
where:
Base-Base interactions energy: -128.288
where: short stacking energy: -54.341
Base-Backbone interact. energy: -0.021
local terms energy: -79.714848
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -160.574751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.574751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.574751 (E_RNA)
where:
Base-Base interactions energy: -104.123
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.457
local terms energy: -55.994602
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -91.958564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958564 (E_RNA)
where:
Base-Base interactions energy: -26.439
where: short stacking energy: -23.022
Base-Backbone interact. energy: -0.016
local terms energy: -65.503025
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -8.819
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: 328
Temperature: 1.300000
Total energy: -79.237909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.237909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.237909 (E_RNA)
where:
Base-Base interactions energy: -32.888
where: short stacking energy: -24.391
Base-Backbone interact. energy: 1.682
local terms energy: -48.031839
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.366
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: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -85.265179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.265179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.265179 (E_RNA)
where:
Base-Base interactions energy: -39.360
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.333
local terms energy: -45.571625
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -253.392642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.392642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.392642 (E_RNA)
where:
Base-Base interactions energy: -172.528
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.324
local terms energy: -80.539878
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -224.717469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.717469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.717469 (E_RNA)
where:
Base-Base interactions energy: -148.390
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.013
local terms energy: -76.314849
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -215.319316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.319316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.319316 (E_RNA)
where:
Base-Base interactions energy: -138.118
where: short stacking energy: -48.266
Base-Backbone interact. energy: -1.095
local terms energy: -76.106569
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -212.306389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.306389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.306389 (E_RNA)
where:
Base-Base interactions energy: -133.786
where: short stacking energy: -63.194
Base-Backbone interact. energy: -0.171
local terms energy: -78.349149
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -17.302
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: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -181.545809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.545809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.545809 (E_RNA)
where:
Base-Base interactions energy: -106.312
where: short stacking energy: -51.093
Base-Backbone interact. energy: -0.187
local terms energy: -75.047477
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -14.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -186.646777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.646777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.646777 (E_RNA)
where:
Base-Base interactions energy: -119.891
where: short stacking energy: -52.186
Base-Backbone interact. energy: -1.101
local terms energy: -65.655211
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -162.825940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.825940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.825940 (E_RNA)
where:
Base-Base interactions energy: -96.886
where: short stacking energy: -48.960
Base-Backbone interact. energy: -0.231
local terms energy: -65.708609
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -87.887120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.887120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.887120 (E_RNA)
where:
Base-Base interactions energy: -40.351
where: short stacking energy: -32.828
Base-Backbone interact. energy: 0.009
local terms energy: -47.545777
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -0.584
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: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -82.668996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.668996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.668996 (E_RNA)
where:
Base-Base interactions energy: -30.546
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.727
local terms energy: -51.396734
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -87.202860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202860 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.026
local terms energy: -50.293056
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -257.287003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.287003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.287003 (E_RNA)
where:
Base-Base interactions energy: -180.971
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.635
local terms energy: -75.680525
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -212.684857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.684857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.684857 (E_RNA)
where:
Base-Base interactions energy: -141.542
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.139
local terms energy: -71.004119
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -11.687
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: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -199.653403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.653403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.653403 (E_RNA)
where:
Base-Base interactions energy: -121.019
where: short stacking energy: -53.441
Base-Backbone interact. energy: -0.432
local terms energy: -78.201887
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -198.709871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.709871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.709871 (E_RNA)
where:
Base-Base interactions energy: -133.181
where: short stacking energy: -54.549
Base-Backbone interact. energy: 1.053
local terms energy: -66.581947
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -207.361950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.361950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.361950 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.183
local terms energy: -71.131261
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -13.554
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: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -170.892724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.892724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.892724 (E_RNA)
where:
Base-Base interactions energy: -102.484
where: short stacking energy: -31.982
Base-Backbone interact. energy: -1.164
local terms energy: -67.244349
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -178.902290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.902290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.902290 (E_RNA)
where:
Base-Base interactions energy: -102.444
where: short stacking energy: -53.961
Base-Backbone interact. energy: -0.071
local terms energy: -76.387908
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -12.111
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: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -95.081021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.081021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.081021 (E_RNA)
where:
Base-Base interactions energy: -36.557
where: short stacking energy: -35.229
Base-Backbone interact. energy: -0.431
local terms energy: -58.092968
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: 2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -96.501163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.501163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.501163 (E_RNA)
where:
Base-Base interactions energy: -37.013
where: short stacking energy: -30.479
Base-Backbone interact. energy: -0.041
local terms energy: -59.447249
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -78.108389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.108389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.108389 (E_RNA)
where:
Base-Base interactions energy: -18.291
where: short stacking energy: -18.291
Base-Backbone interact. energy: -0.113
local terms energy: -59.704749
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -258.395427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.395427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.395427 (E_RNA)
where:
Base-Base interactions energy: -170.288
where: short stacking energy: -69.343
Base-Backbone interact. energy: -0.338
local terms energy: -87.769580
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -219.242098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.242098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.242098 (E_RNA)
where:
Base-Base interactions energy: -147.839
where: short stacking energy: -63.537
Base-Backbone interact. energy: -0.166
local terms energy: -71.236831
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -19.004
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: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -201.060307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.060307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.060307 (E_RNA)
where:
Base-Base interactions energy: -119.466
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.087
local terms energy: -81.507942
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -201.476966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.476966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.476966 (E_RNA)
where:
Base-Base interactions energy: -127.942
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.086
local terms energy: -73.449344
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -201.001039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.001039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.001039 (E_RNA)
where:
Base-Base interactions energy: -127.986
where: short stacking energy: -54.351
Base-Backbone interact. energy: -1.203
local terms energy: -71.812301
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -10.670
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: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -178.810338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.810338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.810338 (E_RNA)
where:
Base-Base interactions energy: -110.308
where: short stacking energy: -51.197
Base-Backbone interact. energy: -0.266
local terms energy: -68.236978
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -192.777118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.777118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.777118 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.061
local terms energy: -67.302380
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -89.807697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.807697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.807697 (E_RNA)
where:
Base-Base interactions energy: -28.299
where: short stacking energy: -23.767
Base-Backbone interact. energy: -0.235
local terms energy: -61.274209
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -88.317746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.317746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.317746 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.582
local terms energy: -52.970624
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: -6.062
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: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -84.320467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.320467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.320467 (E_RNA)
where:
Base-Base interactions energy: -25.553
where: short stacking energy: -25.553
Base-Backbone interact. energy: 1.254
local terms energy: -60.021246
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: 2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -249.103820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.103820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.103820 (E_RNA)
where:
Base-Base interactions energy: -164.716
where: short stacking energy: -70.604
Base-Backbone interact. energy: 0.939
local terms energy: -85.327211
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -219.978277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.978277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.978277 (E_RNA)
where:
Base-Base interactions energy: -138.518
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.003
local terms energy: -81.456866
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -17.864
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: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -210.421477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.421477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.421477 (E_RNA)
where:
Base-Base interactions energy: -129.201
where: short stacking energy: -63.743
Base-Backbone interact. energy: -0.454
local terms energy: -80.766591
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -200.872399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.872399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.872399 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.256
local terms energy: -73.647086
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -199.920196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.920196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.920196 (E_RNA)
where:
Base-Base interactions energy: -129.076
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.296
local terms energy: -70.548714
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -212.824992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.824992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.824992 (E_RNA)
where:
Base-Base interactions energy: -146.677
where: short stacking energy: -55.915
Base-Backbone interact. energy: -0.105
local terms energy: -66.042564
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -170.764368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.764368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.764368 (E_RNA)
where:
Base-Base interactions energy: -104.194
where: short stacking energy: -42.797
Base-Backbone interact. energy: -0.120
local terms energy: -66.450683
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -101.740577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.740577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.740577 (E_RNA)
where:
Base-Base interactions energy: -40.716
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.128
local terms energy: -60.896587
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -4.939
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: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -93.778501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.778501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.778501 (E_RNA)
where:
Base-Base interactions energy: -34.265
where: short stacking energy: -29.897
Base-Backbone interact. energy: -0.115
local terms energy: -59.398173
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -88.332683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.332683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.332683 (E_RNA)
where:
Base-Base interactions energy: -34.986
where: short stacking energy: -33.208
Base-Backbone interact. energy: -0.134
local terms energy: -53.213132
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -5.894
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: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -252.727562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.727562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.727562 (E_RNA)
where:
Base-Base interactions energy: -172.378
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.285
local terms energy: -80.064826
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -228.790926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.790926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.790926 (E_RNA)
where:
Base-Base interactions energy: -142.500
where: short stacking energy: -69.163
Base-Backbone interact. energy: -0.360
local terms energy: -85.931217
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -216.601231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.601231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.601231 (E_RNA)
where:
Base-Base interactions energy: -136.273
where: short stacking energy: -56.420
Base-Backbone interact. energy: -0.127
local terms energy: -80.201702
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -205.602047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.602047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.602047 (E_RNA)
where:
Base-Base interactions energy: -140.732
where: short stacking energy: -53.715
Base-Backbone interact. energy: -0.304
local terms energy: -64.566034
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -15.927
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: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -203.573935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.573935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.573935 (E_RNA)
where:
Base-Base interactions energy: -123.332
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.002
local terms energy: -80.240441
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -160.742959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.742959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.742959 (E_RNA)
where:
Base-Base interactions energy: -95.485
where: short stacking energy: -44.622
Base-Backbone interact. energy: -0.289
local terms energy: -64.968938
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -3.377
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: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -190.910379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.910379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.910379 (E_RNA)
where:
Base-Base interactions energy: -119.415
where: short stacking energy: -56.657
Base-Backbone interact. energy: 1.105
local terms energy: -72.599775
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -88.603678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.603678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.603678 (E_RNA)
where:
Base-Base interactions energy: -26.565
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.153
local terms energy: -61.885850
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -86.480133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.480133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.480133 (E_RNA)
where:
Base-Base interactions energy: -25.541
where: short stacking energy: -22.881
Base-Backbone interact. energy: -0.590
local terms energy: -60.348611
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -1.687
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: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -81.494664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.494664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.494664 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -21.705
Base-Backbone interact. energy: -0.848
local terms energy: -49.784630
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -233.968104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.968104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.968104 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -67.724
Base-Backbone interact. energy: -0.180
local terms energy: -83.481942
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -19.598
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: 334
Temperature: 0.950000
Total energy: -248.383969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.383969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.383969 (E_RNA)
where:
Base-Base interactions energy: -167.329
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.791
local terms energy: -80.264359
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -16.126
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: 334
Temperature: 1.000000
Total energy: -207.607301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.607301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.607301 (E_RNA)
where:
Base-Base interactions energy: -138.994
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.613
local terms energy: -68.000247
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -193.066385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.066385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.066385 (E_RNA)
where:
Base-Base interactions energy: -115.848
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.011
local terms energy: -77.207618
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -180.421616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.421616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.421616 (E_RNA)
where:
Base-Base interactions energy: -107.592
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.075
local terms energy: -72.755072
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -11.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -181.422739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.422739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.422739 (E_RNA)
where:
Base-Base interactions energy: -108.787
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.251
local terms energy: -72.385019
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -13.454
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -180.228991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.228991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.228991 (E_RNA)
where:
Base-Base interactions energy: -116.329
where: short stacking energy: -43.500
Base-Backbone interact. energy: -0.330
local terms energy: -63.570108
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -11.650
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: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -96.584631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.584631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.584631 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -26.334
Base-Backbone interact. energy: -0.303
local terms energy: -58.544475
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -81.997166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.997166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.997166 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -21.896
Base-Backbone interact. energy: -0.104
local terms energy: -51.536867
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -79.734253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.734253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.734253 (E_RNA)
where:
Base-Base interactions energy: -25.742
where: short stacking energy: -23.039
Base-Backbone interact. energy: -1.576
local terms energy: -52.415786
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -237.622000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.622000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.622000 (E_RNA)
where:
Base-Base interactions energy: -156.997
where: short stacking energy: -71.013
Base-Backbone interact. energy: -1.005
local terms energy: -79.619657
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -17.211
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: 335
Temperature: 0.950000
Total energy: -251.375162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.375162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.375162 (E_RNA)
where:
Base-Base interactions energy: -172.063
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.246
local terms energy: -79.066352
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -212.727151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.727151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.727151 (E_RNA)
where:
Base-Base interactions energy: -135.515
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.102
local terms energy: -77.110091
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -18.534
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: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -191.158361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.158361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.158361 (E_RNA)
where:
Base-Base interactions energy: -124.521
where: short stacking energy: -42.745
Base-Backbone interact. energy: 0.188
local terms energy: -66.825214
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -11.751
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: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -192.058759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.058759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.058759 (E_RNA)
where:
Base-Base interactions energy: -115.644
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.642
local terms energy: -75.772920
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -170.505386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.505386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.505386 (E_RNA)
where:
Base-Base interactions energy: -100.988
where: short stacking energy: -51.608
Base-Backbone interact. energy: -0.318
local terms energy: -69.198669
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -171.006005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.006005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.006005 (E_RNA)
where:
Base-Base interactions energy: -102.703
where: short stacking energy: -45.798
Base-Backbone interact. energy: -0.008
local terms energy: -68.294706
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -94.252460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.252460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.252460 (E_RNA)
where:
Base-Base interactions energy: -44.651
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.029
local terms energy: -49.572831
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -79.655136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.655136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.655136 (E_RNA)
where:
Base-Base interactions energy: -23.076
where: short stacking energy: -21.401
Base-Backbone interact. energy: -0.136
local terms energy: -56.442831
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -7.237
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: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -89.341399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341399 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -20.476
Base-Backbone interact. energy: -0.110
local terms energy: -56.002886
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -251.919686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.919686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.919686 (E_RNA)
where:
Base-Base interactions energy: -164.707
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.254
local terms energy: -86.958851
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -238.172681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.172681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.172681 (E_RNA)
where:
Base-Base interactions energy: -159.476
where: short stacking energy: -65.599
Base-Backbone interact. energy: -0.290
local terms energy: -78.405798
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -220.524923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.524923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.524923 (E_RNA)
where:
Base-Base interactions energy: -140.221
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.096
local terms energy: -80.208431
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -191.491072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.491072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.491072 (E_RNA)
where:
Base-Base interactions energy: -123.379
where: short stacking energy: -51.346
Base-Backbone interact. energy: -0.812
local terms energy: -67.300932
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -8.761
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: 336
Temperature: 1.100000
Total energy: -180.481908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.481908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.481908 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.832
local terms energy: -69.697093
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -13.627
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: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -177.834849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.834849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.834849 (E_RNA)
where:
Base-Base interactions energy: -114.054
where: short stacking energy: -52.760
Base-Backbone interact. energy: -0.173
local terms energy: -63.608232
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -174.302766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.302766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.302766 (E_RNA)
where:
Base-Base interactions energy: -113.895
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.298
local terms energy: -60.110069
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -101.439642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.439642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.439642 (E_RNA)
where:
Base-Base interactions energy: -46.026
where: short stacking energy: -35.812
Base-Backbone interact. energy: -0.332
local terms energy: -55.081639
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -86.673042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.673042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.673042 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -29.974
Base-Backbone interact. energy: -0.177
local terms energy: -56.522162
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -83.236523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.236523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.236523 (E_RNA)
where:
Base-Base interactions energy: -25.949
where: short stacking energy: -15.548
Base-Backbone interact. energy: 0.204
local terms energy: -57.492111
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -250.610455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.610455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.610455 (E_RNA)
where:
Base-Base interactions energy: -165.982
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.217
local terms energy: -84.412129
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -234.567080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.567080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.567080 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -75.576
Base-Backbone interact. energy: -0.650
local terms energy: -83.489693
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -218.722581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.722581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.722581 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -70.870
Base-Backbone interact. energy: -0.022
local terms energy: -74.915687
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -208.067072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.067072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.067072 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -57.563
Base-Backbone interact. energy: -0.111
local terms energy: -83.030557
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -174.212616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.212616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.212616 (E_RNA)
where:
Base-Base interactions energy: -114.786
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.010
local terms energy: -59.416515
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -164.060494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.060494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.060494 (E_RNA)
where:
Base-Base interactions energy: -93.575
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.434
local terms energy: -70.051435
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -7.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -158.901373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.901373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.901373 (E_RNA)
where:
Base-Base interactions energy: -89.143
where: short stacking energy: -39.917
Base-Backbone interact. energy: -0.272
local terms energy: -69.485597
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -8.692
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: 337
Temperature: 1.250000
Total energy: -91.242191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.242191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.242191 (E_RNA)
where:
Base-Base interactions energy: -40.292
where: short stacking energy: -27.635
Base-Backbone interact. energy: 1.825
local terms energy: -52.774889
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -97.633759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.633759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.633759 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -35.331
Base-Backbone interact. energy: 0.155
local terms energy: -57.934329
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.811
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: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -97.354268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.354268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.354268 (E_RNA)
where:
Base-Base interactions energy: -40.935
where: short stacking energy: -38.101
Base-Backbone interact. energy: -0.351
local terms energy: -56.069250
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -8.161
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: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -232.568064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.568064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.568064 (E_RNA)
where:
Base-Base interactions energy: -145.414
where: short stacking energy: -75.153
Base-Backbone interact. energy: -0.005
local terms energy: -87.149287
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -21.096
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: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -250.203547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.203547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.203547 (E_RNA)
where:
Base-Base interactions energy: -161.758
where: short stacking energy: -69.023
Base-Backbone interact. energy: -0.584
local terms energy: -87.861179
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -222.952223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.952223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.952223 (E_RNA)
where:
Base-Base interactions energy: -153.938
where: short stacking energy: -63.964
Base-Backbone interact. energy: 0.265
local terms energy: -69.279506
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -223.420835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.420835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.420835 (E_RNA)
where:
Base-Base interactions energy: -141.153
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.819
local terms energy: -81.448320
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -21.071
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: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -192.147635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.147635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.147635 (E_RNA)
where:
Base-Base interactions energy: -119.352
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.098
local terms energy: -72.697437
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -181.453696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.453696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.453696 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -45.523
Base-Backbone interact. energy: -1.045
local terms energy: -56.626306
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -3.243
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: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -178.114195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.114195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.114195 (E_RNA)
where:
Base-Base interactions energy: -105.956
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.196
local terms energy: -71.962378
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -14.749
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: 338
Temperature: 1.250000
Total energy: -124.857838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.857838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.857838 (E_RNA)
where:
Base-Base interactions energy: -57.362
where: short stacking energy: -40.951
Base-Backbone interact. energy: 0.409
local terms energy: -67.904632
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -85.047322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.047322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.047322 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -23.478
Base-Backbone interact. energy: -0.277
local terms energy: -53.946019
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -95.819006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.819006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.819006 (E_RNA)
where:
Base-Base interactions energy: -42.006
where: short stacking energy: -36.448
Base-Backbone interact. energy: -0.338
local terms energy: -53.475927
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -7.176
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: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -243.776810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.776810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.776810 (E_RNA)
where:
Base-Base interactions energy: -152.928
where: short stacking energy: -84.676
Base-Backbone interact. energy: -0.055
local terms energy: -90.793144
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -245.237801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.237801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.237801 (E_RNA)
where:
Base-Base interactions energy: -161.623
where: short stacking energy: -68.864
Base-Backbone interact. energy: 0.645
local terms energy: -84.259775
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -22.622
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -217.560716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.560716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.560716 (E_RNA)
where:
Base-Base interactions energy: -140.155
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.028
local terms energy: -77.377694
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -206.830054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.830054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.830054 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.012
local terms energy: -72.136605
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -212.022274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.022274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.022274 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -63.400
Base-Backbone interact. energy: 1.169
local terms energy: -76.421162
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -168.060981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.060981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.060981 (E_RNA)
where:
Base-Base interactions energy: -97.276
where: short stacking energy: -52.980
Base-Backbone interact. energy: -0.088
local terms energy: -70.696792
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -15.581
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: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -162.745541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.745541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.745541 (E_RNA)
where:
Base-Base interactions energy: -96.834
where: short stacking energy: -54.737
Base-Backbone interact. energy: -0.719
local terms energy: -65.192691
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -1.722
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -84.380301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.380301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.380301 (E_RNA)
where:
Base-Base interactions energy: -30.009
where: short stacking energy: -26.590
Base-Backbone interact. energy: -0.494
local terms energy: -53.877802
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -8.163
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: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -81.915928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.915928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.915928 (E_RNA)
where:
Base-Base interactions energy: -27.440
where: short stacking energy: -23.023
Base-Backbone interact. energy: 2.763
local terms energy: -57.238092
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -92.049454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.049454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.049454 (E_RNA)
where:
Base-Base interactions energy: -41.751
where: short stacking energy: -41.164
Base-Backbone interact. energy: 0.104
local terms energy: -50.402317
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -7.317
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: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -254.052909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.052909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.052909 (E_RNA)
where:
Base-Base interactions energy: -161.602
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.864
local terms energy: -91.587165
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -229.536317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.536317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.536317 (E_RNA)
where:
Base-Base interactions energy: -145.032
where: short stacking energy: -82.657
Base-Backbone interact. energy: -1.693
local terms energy: -82.811053
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -214.344910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.344910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.344910 (E_RNA)
where:
Base-Base interactions energy: -137.011
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.022
local terms energy: -77.312231
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -205.816418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.816418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.816418 (E_RNA)
where:
Base-Base interactions energy: -128.916
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.031
local terms energy: -76.868872
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -191.945118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.945118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.945118 (E_RNA)
where:
Base-Base interactions energy: -120.792
where: short stacking energy: -54.613
Base-Backbone interact. energy: -0.112
local terms energy: -71.041140
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -163.216653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.216653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.216653 (E_RNA)
where:
Base-Base interactions energy: -89.502
where: short stacking energy: -38.290
Base-Backbone interact. energy: -0.333
local terms energy: -73.381679
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -11.491
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: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -175.950655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.950655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.950655 (E_RNA)
where:
Base-Base interactions energy: -109.194
where: short stacking energy: -50.361
Base-Backbone interact. energy: -0.038
local terms energy: -66.718707
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -13.336
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: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -94.896631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.896631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.896631 (E_RNA)
where:
Base-Base interactions energy: -40.289
where: short stacking energy: -36.100
Base-Backbone interact. energy: -0.012
local terms energy: -54.595217
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -6.652
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: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -96.670710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.670710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.670710 (E_RNA)
where:
Base-Base interactions energy: -43.953
where: short stacking energy: -24.504
Base-Backbone interact. energy: -0.288
local terms energy: -52.429286
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -3.426
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: 340
Temperature: 1.350000
Total energy: -105.289707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.289707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.289707 (E_RNA)
where:
Base-Base interactions energy: -48.196
where: short stacking energy: -38.788
Base-Backbone interact. energy: -1.340
local terms energy: -55.753545
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: 1.141
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: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -260.846191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.846191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.846191 (E_RNA)
where:
Base-Base interactions energy: -172.948
where: short stacking energy: -66.180
Base-Backbone interact. energy: -0.355
local terms energy: -87.542433
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -21.714
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: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -225.009093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.009093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.009093 (E_RNA)
where:
Base-Base interactions energy: -144.142
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.077
local terms energy: -80.790772
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -18.028
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: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -215.638186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.638186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.638186 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.062
local terms energy: -74.335302
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -187.912060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.912060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.912060 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -54.469
Base-Backbone interact. energy: -0.113
local terms energy: -70.232316
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -177.265657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265657 (E_RNA)
where:
Base-Base interactions energy: -117.035
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.078
local terms energy: -60.153545
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.537
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: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -164.012949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.012949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.012949 (E_RNA)
where:
Base-Base interactions energy: -94.813
where: short stacking energy: -43.321
Base-Backbone interact. energy: -0.023
local terms energy: -69.176266
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -159.549234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.549234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.549234 (E_RNA)
where:
Base-Base interactions energy: -97.535
where: short stacking energy: -41.734
Base-Backbone interact. energy: -0.602
local terms energy: -61.412360
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -12.192
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: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -98.001328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.001328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.001328 (E_RNA)
where:
Base-Base interactions energy: -39.317
where: short stacking energy: -20.580
Base-Backbone interact. energy: 1.950
local terms energy: -60.634551
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -87.183082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.183082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.183082 (E_RNA)
where:
Base-Base interactions energy: -46.223
where: short stacking energy: -35.324
Base-Backbone interact. energy: -0.197
local terms energy: -40.763142
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -5.857
flat angles P-C4'-P energy: -4.979
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: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -81.232296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.232296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.232296 (E_RNA)
where:
Base-Base interactions energy: -45.157
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.831
local terms energy: -35.244442
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: 1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -260.132854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.132854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.132854 (E_RNA)
where:
Base-Base interactions energy: -179.891
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.214
local terms energy: -80.027158
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -226.895364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.895364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.895364 (E_RNA)
where:
Base-Base interactions energy: -155.898
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.011
local terms energy: -70.985618
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -219.006426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.006426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.006426 (E_RNA)
where:
Base-Base interactions energy: -140.287
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.045
local terms energy: -78.674872
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -179.833652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.833652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.833652 (E_RNA)
where:
Base-Base interactions energy: -116.948
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.139
local terms energy: -62.746209
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -168.551657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.551657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.551657 (E_RNA)
where:
Base-Base interactions energy: -105.094
where: short stacking energy: -35.583
Base-Backbone interact. energy: -1.551
local terms energy: -61.907572
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -186.279136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.279136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.279136 (E_RNA)
where:
Base-Base interactions energy: -122.211
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.504
local terms energy: -63.564261
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -11.948
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: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -88.699421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699421 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -21.267
Base-Backbone interact. energy: -0.500
local terms energy: -56.447442
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -4.463
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: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -188.898897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.898897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.898897 (E_RNA)
where:
Base-Base interactions energy: -121.379
where: short stacking energy: -54.767
Base-Backbone interact. energy: 3.258
local terms energy: -70.777779
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -82.844295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.844295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.844295 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -19.838
Base-Backbone interact. energy: 1.166
local terms energy: -42.135412
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -88.121656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.121656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.121656 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -23.736
Base-Backbone interact. energy: 0.367
local terms energy: -57.803916
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -3.651
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: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -249.418650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.418650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.418650 (E_RNA)
where:
Base-Base interactions energy: -172.248
where: short stacking energy: -69.406
Base-Backbone interact. energy: -0.144
local terms energy: -77.026713
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -208.750633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.750633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.750633 (E_RNA)
where:
Base-Base interactions energy: -132.409
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.360
local terms energy: -75.981316
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -214.238999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.238999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.238999 (E_RNA)
where:
Base-Base interactions energy: -134.618
where: short stacking energy: -57.940
Base-Backbone interact. energy: 1.345
local terms energy: -80.966000
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -210.555720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.555720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.555720 (E_RNA)
where:
Base-Base interactions energy: -143.372
where: short stacking energy: -53.714
Base-Backbone interact. energy: -0.082
local terms energy: -67.101783
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -10.723
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: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -172.980963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.980963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.980963 (E_RNA)
where:
Base-Base interactions energy: -101.727
where: short stacking energy: -51.880
Base-Backbone interact. energy: -0.166
local terms energy: -71.087888
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -12.284
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: 343
Temperature: 1.150000
Total energy: -200.835295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.835295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835295 (E_RNA)
where:
Base-Base interactions energy: -127.737
where: short stacking energy: -55.997
Base-Backbone interact. energy: 1.464
local terms energy: -74.561803
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -98.944420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.944420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.944420 (E_RNA)
where:
Base-Base interactions energy: -48.508
where: short stacking energy: -28.089
Base-Backbone interact. energy: -0.139
local terms energy: -50.297195
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -170.687997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.687997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.687997 (E_RNA)
where:
Base-Base interactions energy: -104.928
where: short stacking energy: -58.584
Base-Backbone interact. energy: -0.177
local terms energy: -65.582778
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -92.842631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.842631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.842631 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -33.495
Base-Backbone interact. energy: 0.191
local terms energy: -60.576618
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -4.762
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: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -77.947867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.947867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.947867 (E_RNA)
where:
Base-Base interactions energy: -22.625
where: short stacking energy: -21.692
Base-Backbone interact. energy: -0.079
local terms energy: -55.243641
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: 1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -255.999901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.999901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.999901 (E_RNA)
where:
Base-Base interactions energy: -177.245
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.304
local terms energy: -78.451182
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -213.189162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.189162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.189162 (E_RNA)
where:
Base-Base interactions energy: -123.549
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.002
local terms energy: -89.638270
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -200.049808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.049808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.049808 (E_RNA)
where:
Base-Base interactions energy: -126.770
where: short stacking energy: -47.587
Base-Backbone interact. energy: 0.591
local terms energy: -73.871030
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -211.311687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.311687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.311687 (E_RNA)
where:
Base-Base interactions energy: -138.952
where: short stacking energy: -65.730
Base-Backbone interact. energy: -0.192
local terms energy: -72.168013
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -206.345207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.345207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.345207 (E_RNA)
where:
Base-Base interactions energy: -126.547
where: short stacking energy: -68.908
Base-Backbone interact. energy: -0.084
local terms energy: -79.714229
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -132.263023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.263023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.263023 (E_RNA)
where:
Base-Base interactions energy: -72.116
where: short stacking energy: -44.579
Base-Backbone interact. energy: -0.149
local terms energy: -59.997922
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -8.264
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -205.535001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.535001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.535001 (E_RNA)
where:
Base-Base interactions energy: -134.397
where: short stacking energy: -59.018
Base-Backbone interact. energy: -1.098
local terms energy: -70.040068
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -108.761264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.761264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.761264 (E_RNA)
where:
Base-Base interactions energy: -42.756
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.820
local terms energy: -65.185553
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -94.646606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.646606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.646606 (E_RNA)
where:
Base-Base interactions energy: -44.386
where: short stacking energy: -25.949
Base-Backbone interact. energy: -0.953
local terms energy: -49.307938
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -86.267725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.267725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.267725 (E_RNA)
where:
Base-Base interactions energy: -27.906
where: short stacking energy: -26.973
Base-Backbone interact. energy: -0.008
local terms energy: -58.353633
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -4.670
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: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -256.098123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.098123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.098123 (E_RNA)
where:
Base-Base interactions energy: -177.747
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.560
local terms energy: -77.790509
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -224.606571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.606571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.606571 (E_RNA)
where:
Base-Base interactions energy: -147.389
where: short stacking energy: -57.368
Base-Backbone interact. energy: -1.537
local terms energy: -75.680888
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -214.215527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.215527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.215527 (E_RNA)
where:
Base-Base interactions energy: -129.094
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.004
local terms energy: -85.117189
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -210.347214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.347214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.347214 (E_RNA)
where:
Base-Base interactions energy: -140.447
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.089
local terms energy: -69.810829
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -204.976860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.976860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.976860 (E_RNA)
where:
Base-Base interactions energy: -124.615
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.028
local terms energy: -80.334168
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -19.127
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: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -188.282850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.282850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.282850 (E_RNA)
where:
Base-Base interactions energy: -115.107
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.093
local terms energy: -73.081909
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -92.520325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.520325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.520325 (E_RNA)
where:
Base-Base interactions energy: -38.891
where: short stacking energy: -29.765
Base-Backbone interact. energy: -0.398
local terms energy: -53.231840
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -1.614
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: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -88.911524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.911524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.911524 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -29.219
Base-Backbone interact. energy: 2.536
local terms energy: -59.851901
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.863
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: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -110.437837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.437837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.437837 (E_RNA)
where:
Base-Base interactions energy: -53.921
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.426
local terms energy: -56.090333
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -4.308
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: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -85.096012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.096012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.096012 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -33.576
Base-Backbone interact. energy: -0.076
local terms energy: -49.992282
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -6.328
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: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -260.497085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.497085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.497085 (E_RNA)
where:
Base-Base interactions energy: -180.155
where: short stacking energy: -76.270
Base-Backbone interact. energy: -0.442
local terms energy: -79.900742
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -244.539574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.539574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.539574 (E_RNA)
where:
Base-Base interactions energy: -163.253
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.033
local terms energy: -81.253172
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -17.307
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: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -222.246063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.246063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.246063 (E_RNA)
where:
Base-Base interactions energy: -148.835
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.099
local terms energy: -73.311694
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -197.579248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.579248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.579248 (E_RNA)
where:
Base-Base interactions energy: -124.954
where: short stacking energy: -60.346
Base-Backbone interact. energy: -0.118
local terms energy: -72.507082
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -210.544108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.544108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.544108 (E_RNA)
where:
Base-Base interactions energy: -148.905
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.139
local terms energy: -61.500618
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -13.363
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: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -189.751230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.751230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.751230 (E_RNA)
where:
Base-Base interactions energy: -133.855
where: short stacking energy: -47.237
Base-Backbone interact. energy: -0.378
local terms energy: -55.518448
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.474
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: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -117.358127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.358127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.358127 (E_RNA)
where:
Base-Base interactions energy: -56.390
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.805
local terms energy: -60.163135
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -92.482583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.482583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.482583 (E_RNA)
where:
Base-Base interactions energy: -43.840
where: short stacking energy: -32.375
Base-Backbone interact. energy: -1.148
local terms energy: -47.493856
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -10.970
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: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -90.401593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.401593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.401593 (E_RNA)
where:
Base-Base interactions energy: -31.877
where: short stacking energy: -31.877
Base-Backbone interact. energy: 0.087
local terms energy: -58.611281
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -10.231
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: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -90.635540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.635540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.635540 (E_RNA)
where:
Base-Base interactions energy: -38.439
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.477
local terms energy: -51.719401
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -254.929011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.929011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.929011 (E_RNA)
where:
Base-Base interactions energy: -170.472
where: short stacking energy: -59.845
Base-Backbone interact. energy: 0.000
local terms energy: -84.457634
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -18.951
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: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -250.091553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.091553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.091553 (E_RNA)
where:
Base-Base interactions energy: -166.550
where: short stacking energy: -79.969
Base-Backbone interact. energy: -0.129
local terms energy: -83.413119
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -229.014845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.014845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014845 (E_RNA)
where:
Base-Base interactions energy: -154.616
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.179
local terms energy: -74.219889
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -194.847373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.847373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.847373 (E_RNA)
where:
Base-Base interactions energy: -122.124
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.871
local terms energy: -71.852341
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -17.198
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: 347
Temperature: 1.100000
Total energy: -197.691762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.691762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.691762 (E_RNA)
where:
Base-Base interactions energy: -128.693
where: short stacking energy: -50.094
Base-Backbone interact. energy: -0.007
local terms energy: -68.992189
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -188.969217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.969217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.969217 (E_RNA)
where:
Base-Base interactions energy: -119.291
where: short stacking energy: -51.880
Base-Backbone interact. energy: -0.290
local terms energy: -69.387961
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -101.605370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.605370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.605370 (E_RNA)
where:
Base-Base interactions energy: -52.694
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.760
local terms energy: -48.151515
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -2.663
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: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -98.068202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068202 (E_RNA)
where:
Base-Base interactions energy: -40.760
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.551
local terms energy: -56.757192
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -95.050651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.050651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.050651 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.165
local terms energy: -64.673312
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -76.285251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.285251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.285251 (E_RNA)
where:
Base-Base interactions energy: -22.677
where: short stacking energy: -16.700
Base-Backbone interact. energy: -0.247
local terms energy: -53.360697
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: 1.292
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: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -247.093788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.093788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.093788 (E_RNA)
where:
Base-Base interactions energy: -163.138
where: short stacking energy: -75.306
Base-Backbone interact. energy: -0.296
local terms energy: -83.659421
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -264.957488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.957488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.957488 (E_RNA)
where:
Base-Base interactions energy: -172.511
where: short stacking energy: -67.066
Base-Backbone interact. energy: 0.196
local terms energy: -92.642741
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -221.558393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.558393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.558393 (E_RNA)
where:
Base-Base interactions energy: -146.870
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.013
local terms energy: -74.674611
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -212.500436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.500436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.500436 (E_RNA)
where:
Base-Base interactions energy: -131.507
where: short stacking energy: -66.113
Base-Backbone interact. energy: -0.826
local terms energy: -80.166751
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -204.637661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.637661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.637661 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -60.953
Base-Backbone interact. energy: -0.100
local terms energy: -68.290601
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -172.557583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.557583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.557583 (E_RNA)
where:
Base-Base interactions energy: -109.173
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.060
local terms energy: -63.324200
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -7.054
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -17.038
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: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -101.004264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.004264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.004264 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -35.776
Base-Backbone interact. energy: -0.099
local terms energy: -59.831697
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -105.090399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.090399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.090399 (E_RNA)
where:
Base-Base interactions energy: -39.782
where: short stacking energy: -39.782
Base-Backbone interact. energy: -0.208
local terms energy: -65.100095
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -7.507
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -80.582282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.582282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.582282 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -14.850
Base-Backbone interact. energy: 0.825
local terms energy: -51.614919
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -88.132551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.132551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.132551 (E_RNA)
where:
Base-Base interactions energy: -32.576
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.765
local terms energy: -54.791881
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -270.049733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.049733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.049733 (E_RNA)
where:
Base-Base interactions energy: -182.895
where: short stacking energy: -73.021
Base-Backbone interact. energy: -0.013
local terms energy: -87.141874
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -251.764994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.764994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.764994 (E_RNA)
where:
Base-Base interactions energy: -171.335
where: short stacking energy: -60.749
Base-Backbone interact. energy: -1.502
local terms energy: -78.928386
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -219.027847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.027847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.027847 (E_RNA)
where:
Base-Base interactions energy: -139.600
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.480
local terms energy: -78.948444
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -205.479410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.479410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.479410 (E_RNA)
where:
Base-Base interactions energy: -133.748
where: short stacking energy: -64.325
Base-Backbone interact. energy: 0.428
local terms energy: -72.159525
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -203.577078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.577078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.577078 (E_RNA)
where:
Base-Base interactions energy: -120.025
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.023
local terms energy: -83.529177
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -121.829252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.829252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.829252 (E_RNA)
where:
Base-Base interactions energy: -53.055
where: short stacking energy: -43.411
Base-Backbone interact. energy: -0.156
local terms energy: -68.618713
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -167.221253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.221253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.221253 (E_RNA)
where:
Base-Base interactions energy: -112.295
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.122
local terms energy: -54.804488
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -8.514
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: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -87.956069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.956069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.956069 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -26.472
Base-Backbone interact. energy: 0.552
local terms energy: -52.266783
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -80.960404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.960404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.960404 (E_RNA)
where:
Base-Base interactions energy: -30.215
where: short stacking energy: -18.527
Base-Backbone interact. energy: 0.057
local terms energy: -50.801658
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: 1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -80.857786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.857786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.857786 (E_RNA)
where:
Base-Base interactions energy: -29.092
where: short stacking energy: -27.089
Base-Backbone interact. energy: -0.836
local terms energy: -50.929817
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -0.584
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: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -264.485248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.485248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.485248 (E_RNA)
where:
Base-Base interactions energy: -176.996
where: short stacking energy: -76.154
Base-Backbone interact. energy: -0.051
local terms energy: -87.438072
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -267.307114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.307114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.307114 (E_RNA)
where:
Base-Base interactions energy: -182.770
where: short stacking energy: -71.266
Base-Backbone interact. energy: 0.417
local terms energy: -84.954800
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -23.414
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: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -223.750015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.750015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.750015 (E_RNA)
where:
Base-Base interactions energy: -140.910
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.049
local terms energy: -82.790966
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -207.204736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.204736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.204736 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -69.030
Base-Backbone interact. energy: -2.058
local terms energy: -78.320771
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -208.211727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.211727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.211727 (E_RNA)
where:
Base-Base interactions energy: -126.814
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.071
local terms energy: -81.326500
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -134.991186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.991186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.991186 (E_RNA)
where:
Base-Base interactions energy: -79.768
where: short stacking energy: -39.295
Base-Backbone interact. energy: -0.388
local terms energy: -54.835895
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -8.788
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: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -172.182382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.182382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.182382 (E_RNA)
where:
Base-Base interactions energy: -107.666
where: short stacking energy: -56.590
Base-Backbone interact. energy: -0.025
local terms energy: -64.491517
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -86.663714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.663714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.663714 (E_RNA)
where:
Base-Base interactions energy: -41.350
where: short stacking energy: -29.330
Base-Backbone interact. energy: 0.199
local terms energy: -45.512784
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -1.243
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: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -86.140677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140677 (E_RNA)
where:
Base-Base interactions energy: -23.657
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.105
local terms energy: -62.378024
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -96.236387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.236387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.236387 (E_RNA)
where:
Base-Base interactions energy: -39.996
where: short stacking energy: -28.298
Base-Backbone interact. energy: -0.158
local terms energy: -56.082914
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -9.969
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: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -251.255567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.255567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.255567 (E_RNA)
where:
Base-Base interactions energy: -168.818
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.498
local terms energy: -81.940360
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -257.241446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.241446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.241446 (E_RNA)
where:
Base-Base interactions energy: -176.566
where: short stacking energy: -72.111
Base-Backbone interact. energy: 0.093
local terms energy: -80.768765
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -229.752280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.752280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.752280 (E_RNA)
where:
Base-Base interactions energy: -150.726
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.237
local terms energy: -78.789228
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -20.502
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: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -205.768610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.768610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.768610 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -68.615
Base-Backbone interact. energy: -0.550
local terms energy: -78.307703
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -211.835171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.835171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.835171 (E_RNA)
where:
Base-Base interactions energy: -129.179
where: short stacking energy: -68.199
Base-Backbone interact. energy: -0.242
local terms energy: -82.415064
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -184.167026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.167026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.167026 (E_RNA)
where:
Base-Base interactions energy: -109.197
where: short stacking energy: -56.933
Base-Backbone interact. energy: -1.166
local terms energy: -73.804128
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -95.649414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.649414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.649414 (E_RNA)
where:
Base-Base interactions energy: -45.348
where: short stacking energy: -20.677
Base-Backbone interact. energy: 2.049
local terms energy: -52.350390
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -5.265
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -95.165849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.165849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.165849 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.188
local terms energy: -58.530926
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -94.931684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.931684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.931684 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -31.321
Base-Backbone interact. energy: -0.606
local terms energy: -61.623923
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -7.952
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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -85.563695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.563695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.563695 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.018
local terms energy: -53.872858
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -256.718842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.718842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.718842 (E_RNA)
where:
Base-Base interactions energy: -173.471
where: short stacking energy: -69.397
Base-Backbone interact. energy: -0.817
local terms energy: -82.431340
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -249.953434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.953434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.953434 (E_RNA)
where:
Base-Base interactions energy: -166.618
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.335
local terms energy: -83.000463
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -216.598817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.598817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.598817 (E_RNA)
where:
Base-Base interactions energy: -137.865
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.471
local terms energy: -78.262075
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -14.791
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: 352
Temperature: 1.050000
Total energy: -212.950738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.950738 (E_RNA)
where:
Base-Base interactions energy: -139.637
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.012
local terms energy: -73.301604
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -197.359284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.359284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.359284 (E_RNA)
where:
Base-Base interactions energy: -123.836
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.101
local terms energy: -73.422347
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -177.598499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.598499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.598499 (E_RNA)
where:
Base-Base interactions energy: -111.227
where: short stacking energy: -57.120
Base-Backbone interact. energy: 1.710
local terms energy: -68.081699
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -112.869628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.869628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.869628 (E_RNA)
where:
Base-Base interactions energy: -54.498
where: short stacking energy: -21.326
Base-Backbone interact. energy: -0.140
local terms energy: -58.231723
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -95.868242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.868242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.868242 (E_RNA)
where:
Base-Base interactions energy: -43.738
where: short stacking energy: -34.809
Base-Backbone interact. energy: 0.803
local terms energy: -52.932823
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -87.057969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.057969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.057969 (E_RNA)
where:
Base-Base interactions energy: -36.596
where: short stacking energy: -34.418
Base-Backbone interact. energy: -0.061
local terms energy: -50.400277
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -7.805
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: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -84.636375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636375 (E_RNA)
where:
Base-Base interactions energy: -27.765
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.274
local terms energy: -56.596725
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -253.674562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.674562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.674562 (E_RNA)
where:
Base-Base interactions energy: -170.740
where: short stacking energy: -69.627
Base-Backbone interact. energy: -1.694
local terms energy: -81.240638
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -23.006
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: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -224.394658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394658 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -68.083
Base-Backbone interact. energy: 0.023
local terms energy: -82.717150
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -228.807385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.807385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.807385 (E_RNA)
where:
Base-Base interactions energy: -156.192
where: short stacking energy: -65.123
Base-Backbone interact. energy: -0.316
local terms energy: -72.299869
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -188.797089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.797089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.797089 (E_RNA)
where:
Base-Base interactions energy: -116.890
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.124
local terms energy: -71.783136
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -192.152100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.152100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.152100 (E_RNA)
where:
Base-Base interactions energy: -112.583
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.413
local terms energy: -79.156399
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -200.583854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.583854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.583854 (E_RNA)
where:
Base-Base interactions energy: -123.348
where: short stacking energy: -57.137
Base-Backbone interact. energy: 1.144
local terms energy: -78.379520
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -92.785221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785221 (E_RNA)
where:
Base-Base interactions energy: -36.618
where: short stacking energy: -28.670
Base-Backbone interact. energy: -0.105
local terms energy: -56.062030
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -89.871334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.871334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.871334 (E_RNA)
where:
Base-Base interactions energy: -28.625
where: short stacking energy: -24.585
Base-Backbone interact. energy: -0.585
local terms energy: -60.660987
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -102.909047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.909047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.909047 (E_RNA)
where:
Base-Base interactions energy: -47.260
where: short stacking energy: -31.779
Base-Backbone interact. energy: -0.026
local terms energy: -55.622442
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -1.185
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: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -82.653995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.653995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.653995 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.135
local terms energy: -49.887642
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -5.800
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: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -256.040674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.040674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.040674 (E_RNA)
where:
Base-Base interactions energy: -173.716
where: short stacking energy: -72.476
Base-Backbone interact. energy: -0.480
local terms energy: -81.844771
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -231.186903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.186903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.186903 (E_RNA)
where:
Base-Base interactions energy: -151.791
where: short stacking energy: -77.634
Base-Backbone interact. energy: -0.103
local terms energy: -79.293500
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -250.553047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.553047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.553047 (E_RNA)
where:
Base-Base interactions energy: -171.222
where: short stacking energy: -74.775
Base-Backbone interact. energy: -0.153
local terms energy: -79.177423
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -184.678129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.678129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.678129 (E_RNA)
where:
Base-Base interactions energy: -111.300
where: short stacking energy: -53.096
Base-Backbone interact. energy: -0.041
local terms energy: -73.336602
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -204.399145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.399145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.399145 (E_RNA)
where:
Base-Base interactions energy: -136.147
where: short stacking energy: -50.558
Base-Backbone interact. energy: -0.116
local terms energy: -68.136612
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -187.130366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.130366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.130366 (E_RNA)
where:
Base-Base interactions energy: -119.882
where: short stacking energy: -64.450
Base-Backbone interact. energy: -0.004
local terms energy: -67.244848
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -113.905464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.905464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.905464 (E_RNA)
where:
Base-Base interactions energy: -56.469
where: short stacking energy: -40.447
Base-Backbone interact. energy: -0.149
local terms energy: -57.287344
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -5.236
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: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -92.441304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.441304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.441304 (E_RNA)
where:
Base-Base interactions energy: -39.617
where: short stacking energy: -22.561
Base-Backbone interact. energy: -0.473
local terms energy: -52.350549
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -88.906146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.906146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.906146 (E_RNA)
where:
Base-Base interactions energy: -39.780
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.076
local terms energy: -49.050582
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -102.407474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.407474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.407474 (E_RNA)
where:
Base-Base interactions energy: -40.886
where: short stacking energy: -16.965
Base-Backbone interact. energy: -0.503
local terms energy: -61.018486
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -258.654604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.654604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.654604 (E_RNA)
where:
Base-Base interactions energy: -177.605
where: short stacking energy: -72.744
Base-Backbone interact. energy: 0.685
local terms energy: -81.734223
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -262.007234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.007234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.007234 (E_RNA)
where:
Base-Base interactions energy: -174.541
where: short stacking energy: -70.985
Base-Backbone interact. energy: 0.203
local terms energy: -87.669413
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -232.735101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.735101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.735101 (E_RNA)
where:
Base-Base interactions energy: -145.240
where: short stacking energy: -84.752
Base-Backbone interact. energy: -0.922
local terms energy: -86.573008
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -196.706490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.706490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.706490 (E_RNA)
where:
Base-Base interactions energy: -119.055
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.895
local terms energy: -76.757175
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -15.103
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: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -184.111293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.111293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.111293 (E_RNA)
where:
Base-Base interactions energy: -115.512
where: short stacking energy: -61.436
Base-Backbone interact. energy: -0.728
local terms energy: -67.871863
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -9.716
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: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -194.287204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.287204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.287204 (E_RNA)
where:
Base-Base interactions energy: -124.079
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.037
local terms energy: -70.170534
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -115.368127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.368127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.368127 (E_RNA)
where:
Base-Base interactions energy: -56.722
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.329
local terms energy: -58.317394
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.892
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: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -80.854248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.854248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.854248 (E_RNA)
where:
Base-Base interactions energy: -28.759
where: short stacking energy: -18.455
Base-Backbone interact. energy: -0.233
local terms energy: -51.861991
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -90.658188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.658188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.658188 (E_RNA)
where:
Base-Base interactions energy: -39.347
where: short stacking energy: -23.283
Base-Backbone interact. energy: -0.559
local terms energy: -50.751533
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -83.407186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.407186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.407186 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -21.919
Base-Backbone interact. energy: -1.277
local terms energy: -50.400936
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: 4.613
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: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -260.190856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.190856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.190856 (E_RNA)
where:
Base-Base interactions energy: -179.871
where: short stacking energy: -78.101
Base-Backbone interact. energy: -0.371
local terms energy: -79.948806
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -255.807944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.807944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.807944 (E_RNA)
where:
Base-Base interactions energy: -172.661
where: short stacking energy: -71.582
Base-Backbone interact. energy: -0.189
local terms energy: -82.957458
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -17.682
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: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -221.926750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.926750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.926750 (E_RNA)
where:
Base-Base interactions energy: -140.536
where: short stacking energy: -72.407
Base-Backbone interact. energy: -0.612
local terms energy: -80.778705
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -205.128073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.128073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.128073 (E_RNA)
where:
Base-Base interactions energy: -129.471
where: short stacking energy: -72.909
Base-Backbone interact. energy: -0.318
local terms energy: -75.339044
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -186.649726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.649726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.649726 (E_RNA)
where:
Base-Base interactions energy: -113.587
where: short stacking energy: -52.423
Base-Backbone interact. energy: -0.066
local terms energy: -72.996432
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -192.415067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.415067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.415067 (E_RNA)
where:
Base-Base interactions energy: -135.944
where: short stacking energy: -56.016
Base-Backbone interact. energy: -1.623
local terms energy: -54.848685
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -0.362
tors. eta vs tors. theta energy: -17.100
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: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -95.615701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.615701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.615701 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -35.182
Base-Backbone interact. energy: -1.450
local terms energy: -54.726714
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -8.191
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: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -104.410437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.410437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.410437 (E_RNA)
where:
Base-Base interactions energy: -45.529
where: short stacking energy: -38.428
Base-Backbone interact. energy: -0.197
local terms energy: -58.684848
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -7.904
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: 356
Temperature: 1.300000
Total energy: -93.201895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.201895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.201895 (E_RNA)
where:
Base-Base interactions energy: -33.267
where: short stacking energy: -33.267
Base-Backbone interact. energy: -0.497
local terms energy: -59.437359
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -4.377
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: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -73.717075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.717075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.717075 (E_RNA)
where:
Base-Base interactions energy: -24.004
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.190
local terms energy: -49.523095
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.714
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: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -266.941582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.941582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.941582 (E_RNA)
where:
Base-Base interactions energy: -181.483
where: short stacking energy: -80.356
Base-Backbone interact. energy: 0.434
local terms energy: -85.893240
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -24.305
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: 357
Temperature: 0.950000
Total energy: -255.419877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.419877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.419877 (E_RNA)
where:
Base-Base interactions energy: -171.893
where: short stacking energy: -74.353
Base-Backbone interact. energy: -0.160
local terms energy: -83.367292
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -215.901816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.901816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.901816 (E_RNA)
where:
Base-Base interactions energy: -136.716
where: short stacking energy: -62.050
Base-Backbone interact. energy: -1.100
local terms energy: -78.085361
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -15.477
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: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -209.224376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.224376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.224376 (E_RNA)
where:
Base-Base interactions energy: -131.827
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.445
local terms energy: -76.952098
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -182.499103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.499103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.499103 (E_RNA)
where:
Base-Base interactions energy: -109.821
where: short stacking energy: -52.571
Base-Backbone interact. energy: -0.100
local terms energy: -72.578458
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -101.166698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.166698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.166698 (E_RNA)
where:
Base-Base interactions energy: -44.014
where: short stacking energy: -36.634
Base-Backbone interact. energy: -0.324
local terms energy: -56.829222
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -179.124664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.124664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.124664 (E_RNA)
where:
Base-Base interactions energy: -114.051
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.126
local terms energy: -64.947785
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -99.302856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.302856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.302856 (E_RNA)
where:
Base-Base interactions energy: -49.790
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.184
local terms energy: -49.328398
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -8.599
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -90.983854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.983854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.983854 (E_RNA)
where:
Base-Base interactions energy: -41.002
where: short stacking energy: -26.932
Base-Backbone interact. energy: -0.415
local terms energy: -49.566446
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -84.033362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.033362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.033362 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -24.021
Base-Backbone interact. energy: 1.025
local terms energy: -47.151099
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -1.981
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: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -257.822446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.822446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.822446 (E_RNA)
where:
Base-Base interactions energy: -170.858
where: short stacking energy: -78.333
Base-Backbone interact. energy: -0.419
local terms energy: -86.545476
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -253.543398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.543398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.543398 (E_RNA)
where:
Base-Base interactions energy: -167.362
where: short stacking energy: -70.489
Base-Backbone interact. energy: -1.099
local terms energy: -85.082125
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -212.071683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.071683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.071683 (E_RNA)
where:
Base-Base interactions energy: -136.125
where: short stacking energy: -58.112
Base-Backbone interact. energy: -0.175
local terms energy: -75.772133
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -213.455907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.455907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.455907 (E_RNA)
where:
Base-Base interactions energy: -127.599
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.036
local terms energy: -85.820469
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -186.509060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.509060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.509060 (E_RNA)
where:
Base-Base interactions energy: -116.485
where: short stacking energy: -52.202
Base-Backbone interact. energy: -0.349
local terms energy: -69.674835
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -134.085767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.085767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.085767 (E_RNA)
where:
Base-Base interactions energy: -73.838
where: short stacking energy: -42.017
Base-Backbone interact. energy: -1.122
local terms energy: -59.125694
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -5.432
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: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -157.956471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.956471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.956471 (E_RNA)
where:
Base-Base interactions energy: -94.705
where: short stacking energy: -41.077
Base-Backbone interact. energy: -0.447
local terms energy: -62.804327
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -95.671102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.671102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.671102 (E_RNA)
where:
Base-Base interactions energy: -46.456
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.124
local terms energy: -49.091571
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -8.694
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: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -92.646816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.646816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.646816 (E_RNA)
where:
Base-Base interactions energy: -43.586
where: short stacking energy: -23.317
Base-Backbone interact. energy: -1.256
local terms energy: -47.804586
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -8.308
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: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -82.327866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.327866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.327866 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -22.842
Base-Backbone interact. energy: -0.100
local terms energy: -47.673599
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: 3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -260.158957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.158957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.158957 (E_RNA)
where:
Base-Base interactions energy: -180.761
where: short stacking energy: -73.590
Base-Backbone interact. energy: -0.179
local terms energy: -79.219282
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -256.381434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.381434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.381434 (E_RNA)
where:
Base-Base interactions energy: -172.988
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.669
local terms energy: -82.725051
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -215.453811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.453811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.453811 (E_RNA)
where:
Base-Base interactions energy: -136.542
where: short stacking energy: -74.207
Base-Backbone interact. energy: -0.047
local terms energy: -78.864450
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -20.426
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: 359
Temperature: 1.050000
Total energy: -202.198681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198681 (E_RNA)
where:
Base-Base interactions energy: -133.114
where: short stacking energy: -65.201
Base-Backbone interact. energy: -0.094
local terms energy: -68.990586
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -202.168483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.168483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.168483 (E_RNA)
where:
Base-Base interactions energy: -123.652
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.185
local terms energy: -78.331415
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -191.100518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.100518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.100518 (E_RNA)
where:
Base-Base interactions energy: -117.262
where: short stacking energy: -54.020
Base-Backbone interact. energy: -0.112
local terms energy: -73.726305
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -117.626948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.626948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.626948 (E_RNA)
where:
Base-Base interactions energy: -61.413
where: short stacking energy: -35.319
Base-Backbone interact. energy: -0.452
local terms energy: -55.761933
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -11.623
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: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -97.832061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.832061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.832061 (E_RNA)
where:
Base-Base interactions energy: -44.008
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.746
local terms energy: -53.078131
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -89.673425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.673425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.673425 (E_RNA)
where:
Base-Base interactions energy: -28.036
where: short stacking energy: -21.448
Base-Backbone interact. energy: 0.386
local terms energy: -62.022977
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.053
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: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -83.122255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.122255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.122255 (E_RNA)
where:
Base-Base interactions energy: -28.729
where: short stacking energy: -20.890
Base-Backbone interact. energy: -0.696
local terms energy: -53.697368
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -259.484404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.484404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.484404 (E_RNA)
where:
Base-Base interactions energy: -170.727
where: short stacking energy: -74.251
Base-Backbone interact. energy: -1.324
local terms energy: -87.433633
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -262.338636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.338636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.338636 (E_RNA)
where:
Base-Base interactions energy: -180.872
where: short stacking energy: -74.147
Base-Backbone interact. energy: -0.289
local terms energy: -81.177223
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -222.563950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.563950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.563950 (E_RNA)
where:
Base-Base interactions energy: -154.610
where: short stacking energy: -60.296
Base-Backbone interact. energy: -0.181
local terms energy: -67.772800
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -205.019223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.019223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.019223 (E_RNA)
where:
Base-Base interactions energy: -137.585
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.046
local terms energy: -67.387761
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -14.847
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: 360
Temperature: 1.100000
Total energy: -182.612365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.612365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.612365 (E_RNA)
where:
Base-Base interactions energy: -111.925
where: short stacking energy: -57.063
Base-Backbone interact. energy: -0.119
local terms energy: -70.567425
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -9.639
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: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -178.095919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.095919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.095919 (E_RNA)
where:
Base-Base interactions energy: -112.907
where: short stacking energy: -51.471
Base-Backbone interact. energy: -0.234
local terms energy: -64.954646
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -10.456
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: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -95.555337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555337 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -28.810
Base-Backbone interact. energy: -0.206
local terms energy: -60.672838
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -91.804251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.804251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.804251 (E_RNA)
where:
Base-Base interactions energy: -28.177
where: short stacking energy: -17.625
Base-Backbone interact. energy: -0.010
local terms energy: -63.617542
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -8.613
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: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -90.473821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.473821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.473821 (E_RNA)
where:
Base-Base interactions energy: -33.489
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.383
local terms energy: -56.602012
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -81.514338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514338 (E_RNA)
where:
Base-Base interactions energy: -27.953
where: short stacking energy: -21.904
Base-Backbone interact. energy: -0.204
local terms energy: -53.356820
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: 5.230
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: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -267.512141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.512141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.512141 (E_RNA)
where:
Base-Base interactions energy: -182.796
where: short stacking energy: -74.151
Base-Backbone interact. energy: 1.082
local terms energy: -85.798731
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -257.048991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.048991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.048991 (E_RNA)
where:
Base-Base interactions energy: -175.801
where: short stacking energy: -79.171
Base-Backbone interact. energy: 3.067
local terms energy: -84.314136
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -212.111544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.111544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.111544 (E_RNA)
where:
Base-Base interactions energy: -133.259
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.355
local terms energy: -78.496869
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -201.095610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.095610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.095610 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -49.361
Base-Backbone interact. energy: -0.014
local terms energy: -72.053757
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -20.030
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: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -183.591339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.591339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.591339 (E_RNA)
where:
Base-Base interactions energy: -109.955
where: short stacking energy: -54.043
Base-Backbone interact. energy: -0.523
local terms energy: -73.112652
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -8.493
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: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -166.605774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.605774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.605774 (E_RNA)
where:
Base-Base interactions energy: -99.036
where: short stacking energy: -46.934
Base-Backbone interact. energy: -0.163
local terms energy: -67.406894
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -113.591901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.591901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.591901 (E_RNA)
where:
Base-Base interactions energy: -55.210
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.264
local terms energy: -58.118179
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -84.748535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.748535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.748535 (E_RNA)
where:
Base-Base interactions energy: -22.477
where: short stacking energy: -22.001
Base-Backbone interact. energy: -0.195
local terms energy: -62.076486
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -0.148
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: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -85.453136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.453136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.453136 (E_RNA)
where:
Base-Base interactions energy: -24.638
where: short stacking energy: -24.638
Base-Backbone interact. energy: -0.070
local terms energy: -60.745819
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -81.110552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.110552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.110552 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -31.558
Base-Backbone interact. energy: -0.141
local terms energy: -46.326931
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: 2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -262.438171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.438171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.438171 (E_RNA)
where:
Base-Base interactions energy: -173.371
where: short stacking energy: -72.637
Base-Backbone interact. energy: -2.024
local terms energy: -87.042861
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -254.117166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.117166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.117166 (E_RNA)
where:
Base-Base interactions energy: -180.994
where: short stacking energy: -72.822
Base-Backbone interact. energy: -0.395
local terms energy: -72.727781
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -207.107059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.107059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.107059 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.008
local terms energy: -79.419517
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -209.645450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.645450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.645450 (E_RNA)
where:
Base-Base interactions energy: -123.989
where: short stacking energy: -52.430
Base-Backbone interact. energy: -0.028
local terms energy: -85.627940
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -198.069679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.069679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.069679 (E_RNA)
where:
Base-Base interactions energy: -121.775
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.613
local terms energy: -75.681311
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -184.914332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.914332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.914332 (E_RNA)
where:
Base-Base interactions energy: -110.033
where: short stacking energy: -48.490
Base-Backbone interact. energy: 1.381
local terms energy: -76.262188
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -126.930936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.930936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.930936 (E_RNA)
where:
Base-Base interactions energy: -70.441
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.069
local terms energy: -56.420645
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -104.875983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.875983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.875983 (E_RNA)
where:
Base-Base interactions energy: -44.204
where: short stacking energy: -40.822
Base-Backbone interact. energy: -0.225
local terms energy: -60.447007
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -9.017
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: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -85.458328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.458328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.458328 (E_RNA)
where:
Base-Base interactions energy: -26.908
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.551
local terms energy: -58.000002
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -84.540450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.540450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.540450 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -30.145
Base-Backbone interact. energy: -0.089
local terms energy: -53.873005
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -261.430695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.430695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.430695 (E_RNA)
where:
Base-Base interactions energy: -181.454
where: short stacking energy: -68.727
Base-Backbone interact. energy: -0.245
local terms energy: -79.731930
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -255.570032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.570032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.570032 (E_RNA)
where:
Base-Base interactions energy: -173.310
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.444
local terms energy: -81.816214
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -211.901376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.901376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.901376 (E_RNA)
where:
Base-Base interactions energy: -141.123
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.407
local terms energy: -70.370899
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -225.308382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.308382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.308382 (E_RNA)
where:
Base-Base interactions energy: -146.872
where: short stacking energy: -73.133
Base-Backbone interact. energy: -0.009
local terms energy: -78.427369
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -168.894825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.894825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.894825 (E_RNA)
where:
Base-Base interactions energy: -104.245
where: short stacking energy: -43.735
Base-Backbone interact. energy: -0.169
local terms energy: -64.480669
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -170.531442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.531442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.531442 (E_RNA)
where:
Base-Base interactions energy: -103.907
where: short stacking energy: -48.272
Base-Backbone interact. energy: -0.098
local terms energy: -66.526264
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -107.929181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.929181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.929181 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -30.746
Base-Backbone interact. energy: -0.745
local terms energy: -68.114388
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -114.637121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.637121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.637121 (E_RNA)
where:
Base-Base interactions energy: -50.340
where: short stacking energy: -36.275
Base-Backbone interact. energy: -0.298
local terms energy: -63.999209
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -11.997
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: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -87.020157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.020157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.020157 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -24.523
Base-Backbone interact. energy: -0.217
local terms energy: -61.995500
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -74.387972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.387972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.387972 (E_RNA)
where:
Base-Base interactions energy: -26.705
where: short stacking energy: -23.125
Base-Backbone interact. energy: -0.099
local terms energy: -47.584370
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -9.226
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: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -265.662420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.662420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.662420 (E_RNA)
where:
Base-Base interactions energy: -179.430
where: short stacking energy: -68.228
Base-Backbone interact. energy: -0.244
local terms energy: -85.988399
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -19.144
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -253.450659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.450659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.450659 (E_RNA)
where:
Base-Base interactions energy: -167.299
where: short stacking energy: -72.223
Base-Backbone interact. energy: -0.183
local terms energy: -85.968439
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -237.242198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.242198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.242198 (E_RNA)
where:
Base-Base interactions energy: -149.491
where: short stacking energy: -64.543
Base-Backbone interact. energy: -1.001
local terms energy: -86.750304
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -204.118974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.118974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118974 (E_RNA)
where:
Base-Base interactions energy: -127.709
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.180
local terms energy: -76.229897
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -172.657678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.657678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.657678 (E_RNA)
where:
Base-Base interactions energy: -104.225
where: short stacking energy: -42.459
Base-Backbone interact. energy: -0.157
local terms energy: -68.275630
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -168.545680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.545680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.545680 (E_RNA)
where:
Base-Base interactions energy: -102.793
where: short stacking energy: -41.944
Base-Backbone interact. energy: -0.611
local terms energy: -65.141463
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -103.765641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.765641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.765641 (E_RNA)
where:
Base-Base interactions energy: -43.891
where: short stacking energy: -27.518
Base-Backbone interact. energy: -0.546
local terms energy: -59.328678
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -97.898466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.898466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.898466 (E_RNA)
where:
Base-Base interactions energy: -43.340
where: short stacking energy: -21.230
Base-Backbone interact. energy: -0.211
local terms energy: -54.347876
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -91.688335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.688335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.688335 (E_RNA)
where:
Base-Base interactions energy: -36.812
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.303
local terms energy: -54.573849
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -1.375
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: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -86.554254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.554254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.554254 (E_RNA)
where:
Base-Base interactions energy: -26.794
where: short stacking energy: -25.569
Base-Backbone interact. energy: -0.371
local terms energy: -59.389222
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: 0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -264.514026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.514026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.514026 (E_RNA)
where:
Base-Base interactions energy: -183.563
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.351
local terms energy: -80.599930
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -233.658497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.658497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.658497 (E_RNA)
where:
Base-Base interactions energy: -159.369
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.634
local terms energy: -73.655695
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -250.840298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.840298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.840298 (E_RNA)
where:
Base-Base interactions energy: -167.974
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.300
local terms energy: -82.566653
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -216.216353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.216353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.216353 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -65.179
Base-Backbone interact. energy: -0.214
local terms energy: -75.617441
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -189.653758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.653758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.653758 (E_RNA)
where:
Base-Base interactions energy: -116.402
where: short stacking energy: -58.798
Base-Backbone interact. energy: -0.199
local terms energy: -73.052258
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -16.271
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: 365
Temperature: 1.150000
Total energy: -185.323833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.323833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.323833 (E_RNA)
where:
Base-Base interactions energy: -114.548
where: short stacking energy: -48.096
Base-Backbone interact. energy: -0.025
local terms energy: -70.750450
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -114.781239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.781239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.781239 (E_RNA)
where:
Base-Base interactions energy: -56.386
where: short stacking energy: -35.183
Base-Backbone interact. energy: -0.239
local terms energy: -58.156062
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -11.100
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: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -95.520246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.520246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.520246 (E_RNA)
where:
Base-Base interactions energy: -43.091
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.820
local terms energy: -51.609347
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -96.422449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.422449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.422449 (E_RNA)
where:
Base-Base interactions energy: -40.178
where: short stacking energy: -40.178
Base-Backbone interact. energy: -0.098
local terms energy: -56.146340
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -8.956
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: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -82.398086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398086 (E_RNA)
where:
Base-Base interactions energy: -25.299
where: short stacking energy: -25.299
Base-Backbone interact. energy: -0.038
local terms energy: -57.061482
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -2.277
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: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -242.695575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.695575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.695575 (E_RNA)
where:
Base-Base interactions energy: -158.095
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.199
local terms energy: -84.401161
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -18.575
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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -259.539658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.539658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.539658 (E_RNA)
where:
Base-Base interactions energy: -174.677
where: short stacking energy: -66.876
Base-Backbone interact. energy: 0.592
local terms energy: -85.454400
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -238.777286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.777286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.777286 (E_RNA)
where:
Base-Base interactions energy: -168.549
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.239
local terms energy: -69.989419
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -218.126023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.126023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.126023 (E_RNA)
where:
Base-Base interactions energy: -135.114
where: short stacking energy: -65.648
Base-Backbone interact. energy: -0.039
local terms energy: -82.973253
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -195.983663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.983663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.983663 (E_RNA)
where:
Base-Base interactions energy: -128.483
where: short stacking energy: -58.791
Base-Backbone interact. energy: 0.737
local terms energy: -68.237862
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -174.207671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.207671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.207671 (E_RNA)
where:
Base-Base interactions energy: -102.162
where: short stacking energy: -43.957
Base-Backbone interact. energy: -0.293
local terms energy: -71.752174
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -115.927619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.927619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.927619 (E_RNA)
where:
Base-Base interactions energy: -57.885
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.881
local terms energy: -57.162474
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -98.782442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.782442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.782442 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -32.024
Base-Backbone interact. energy: -0.115
local terms energy: -63.712613
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -81.555816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555816 (E_RNA)
where:
Base-Base interactions energy: -28.228
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.457
local terms energy: -52.871265
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -84.475630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.475630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.475630 (E_RNA)
where:
Base-Base interactions energy: -25.310
where: short stacking energy: -25.310
Base-Backbone interact. energy: 0.352
local terms energy: -59.517390
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -239.337175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.337175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.337175 (E_RNA)
where:
Base-Base interactions energy: -165.295
where: short stacking energy: -61.281
Base-Backbone interact. energy: -0.150
local terms energy: -73.891849
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -246.234576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.234576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.234576 (E_RNA)
where:
Base-Base interactions energy: -167.732
where: short stacking energy: -66.332
Base-Backbone interact. energy: 0.543
local terms energy: -79.045313
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -250.760092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.760092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.760092 (E_RNA)
where:
Base-Base interactions energy: -161.620
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.293
local terms energy: -88.847335
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -209.716290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.716290 (E_RNA)
where:
Base-Base interactions energy: -136.545
where: short stacking energy: -52.956
Base-Backbone interact. energy: -0.693
local terms energy: -72.478442
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -199.300270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.300270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.300270 (E_RNA)
where:
Base-Base interactions energy: -122.686
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.150
local terms energy: -76.464337
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -181.408610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.408610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.408610 (E_RNA)
where:
Base-Base interactions energy: -113.363
where: short stacking energy: -49.663
Base-Backbone interact. energy: -0.419
local terms energy: -67.626532
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -109.353707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.353707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.353707 (E_RNA)
where:
Base-Base interactions energy: -48.941
where: short stacking energy: -31.251
Base-Backbone interact. energy: -1.293
local terms energy: -59.119743
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -91.534650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.534650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.534650 (E_RNA)
where:
Base-Base interactions energy: -31.940
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.851
local terms energy: -58.743577
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -4.791
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: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -78.889244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.889244 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -38.006
Base-Backbone interact. energy: -0.052
local terms energy: -39.299077
where:
bonds (distance) C4'-P energy: -2.623
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -83.414430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.414430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.414430 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -21.097
Base-Backbone interact. energy: -0.247
local terms energy: -50.770019
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -243.029241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.029241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.029241 (E_RNA)
where:
Base-Base interactions energy: -156.786
where: short stacking energy: -70.339
Base-Backbone interact. energy: -0.447
local terms energy: -85.796442
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -21.354
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: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -250.955076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.955076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.955076 (E_RNA)
where:
Base-Base interactions energy: -169.342
where: short stacking energy: -68.195
Base-Backbone interact. energy: -0.138
local terms energy: -81.475079
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -13.373
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: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -242.837552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.837552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.837552 (E_RNA)
where:
Base-Base interactions energy: -154.083
where: short stacking energy: -70.297
Base-Backbone interact. energy: -1.330
local terms energy: -87.424603
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -215.736420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.736420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.736420 (E_RNA)
where:
Base-Base interactions energy: -133.598
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.294
local terms energy: -81.844843
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -212.442799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.442799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.442799 (E_RNA)
where:
Base-Base interactions energy: -131.543
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.590
local terms energy: -80.310067
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -23.151
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: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -168.390312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390312 (E_RNA)
where:
Base-Base interactions energy: -107.737
where: short stacking energy: -47.645
Base-Backbone interact. energy: -0.186
local terms energy: -60.466907
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -4.737
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -102.663482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.663482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.663482 (E_RNA)
where:
Base-Base interactions energy: -37.789
where: short stacking energy: -36.794
Base-Backbone interact. energy: -0.192
local terms energy: -64.682210
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -103.306648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.306648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.306648 (E_RNA)
where:
Base-Base interactions energy: -50.165
where: short stacking energy: -31.167
Base-Backbone interact. energy: -1.093
local terms energy: -52.048572
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -4.800
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: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -104.624814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.624814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.624814 (E_RNA)
where:
Base-Base interactions energy: -52.597
where: short stacking energy: -29.026
Base-Backbone interact. energy: -0.352
local terms energy: -51.675645
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -81.037909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.037909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.037909 (E_RNA)
where:
Base-Base interactions energy: -18.473
where: short stacking energy: -18.473
Base-Backbone interact. energy: -0.191
local terms energy: -62.374077
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -7.223
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: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -239.957617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.957617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.957617 (E_RNA)
where:
Base-Base interactions energy: -159.120
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.184
local terms energy: -80.653471
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -14.962
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: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -262.573056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.573056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.573056 (E_RNA)
where:
Base-Base interactions energy: -178.510
where: short stacking energy: -76.250
Base-Backbone interact. energy: -0.437
local terms energy: -83.625539
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -252.629417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.629417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.629417 (E_RNA)
where:
Base-Base interactions energy: -167.654
where: short stacking energy: -72.510
Base-Backbone interact. energy: -2.326
local terms energy: -82.649871
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -199.908423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908423 (E_RNA)
where:
Base-Base interactions energy: -128.159
where: short stacking energy: -63.068
Base-Backbone interact. energy: -0.105
local terms energy: -71.644634
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -200.033032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.033032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.033032 (E_RNA)
where:
Base-Base interactions energy: -126.919
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.001
local terms energy: -73.112934
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -16.699
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -172.914911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.914911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.914911 (E_RNA)
where:
Base-Base interactions energy: -104.213
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.395
local terms energy: -68.307764
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -102.923324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.923324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.923324 (E_RNA)
where:
Base-Base interactions energy: -40.629
where: short stacking energy: -40.629
Base-Backbone interact. energy: -0.172
local terms energy: -62.123103
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -7.915
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: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -86.186715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.186715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.186715 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.188
local terms energy: -50.473551
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -6.794
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -97.617720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.617720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.617720 (E_RNA)
where:
Base-Base interactions energy: -39.450
where: short stacking energy: -34.845
Base-Backbone interact. energy: -0.960
local terms energy: -57.207793
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -86.066440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066440 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -30.473
Base-Backbone interact. energy: -0.114
local terms energy: -55.124196
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -3.075
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: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -267.910052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.910052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.910052 (E_RNA)
where:
Base-Base interactions energy: -181.487
where: short stacking energy: -69.882
Base-Backbone interact. energy: -0.308
local terms energy: -86.114555
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -243.323711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.323711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.323711 (E_RNA)
where:
Base-Base interactions energy: -156.057
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.120
local terms energy: -87.147616
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -240.053439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.053439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.053439 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -59.818
Base-Backbone interact. energy: -0.135
local terms energy: -84.152118
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -192.811153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.811153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.811153 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -54.615
Base-Backbone interact. energy: -0.346
local terms energy: -78.499833
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -9.685
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: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -175.808056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.808056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.808056 (E_RNA)
where:
Base-Base interactions energy: -109.787
where: short stacking energy: -45.372
Base-Backbone interact. energy: -0.437
local terms energy: -65.583660
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -6.126
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: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -192.921396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.921396 (E_RNA)
where:
Base-Base interactions energy: -118.302
where: short stacking energy: -52.774
Base-Backbone interact. energy: -0.520
local terms energy: -74.099321
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -96.847644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.847644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.847644 (E_RNA)
where:
Base-Base interactions energy: -38.540
where: short stacking energy: -36.328
Base-Backbone interact. energy: -0.159
local terms energy: -58.149324
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -83.555153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.555153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.555153 (E_RNA)
where:
Base-Base interactions energy: -30.304
where: short stacking energy: -21.099
Base-Backbone interact. energy: 0.439
local terms energy: -53.690003
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: 4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -79.910673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.910673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.910673 (E_RNA)
where:
Base-Base interactions energy: -21.196
where: short stacking energy: -21.196
Base-Backbone interact. energy: -0.202
local terms energy: -58.513136
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -10.122
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: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -72.427241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.427241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.427241 (E_RNA)
where:
Base-Base interactions energy: -27.148
where: short stacking energy: -24.962
Base-Backbone interact. energy: -0.259
local terms energy: -45.020828
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: 2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -259.347815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.347815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.347815 (E_RNA)
where:
Base-Base interactions energy: -170.374
where: short stacking energy: -67.962
Base-Backbone interact. energy: -0.874
local terms energy: -88.100245
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -17.948
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: 371
Temperature: 0.950000
Total energy: -249.576448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.576448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.576448 (E_RNA)
where:
Base-Base interactions energy: -177.579
where: short stacking energy: -68.620
Base-Backbone interact. energy: 1.451
local terms energy: -73.448593
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -238.474124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.474124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.474124 (E_RNA)
where:
Base-Base interactions energy: -153.999
where: short stacking energy: -79.310
Base-Backbone interact. energy: -0.075
local terms energy: -84.400437
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -25.027
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: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -194.677127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.677127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.677127 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -53.497
Base-Backbone interact. energy: 1.059
local terms energy: -80.678344
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -161.649220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.649220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.649220 (E_RNA)
where:
Base-Base interactions energy: -95.878
where: short stacking energy: -50.937
Base-Backbone interact. energy: -0.356
local terms energy: -65.414752
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -206.247953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.247953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.247953 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.039
local terms energy: -74.484683
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -132.878373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.878373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.878373 (E_RNA)
where:
Base-Base interactions energy: -74.566
where: short stacking energy: -35.056
Base-Backbone interact. energy: -0.130
local terms energy: -58.182583
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -90.324486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.324486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.324486 (E_RNA)
where:
Base-Base interactions energy: -30.727
where: short stacking energy: -21.116
Base-Backbone interact. energy: -0.662
local terms energy: -58.935091
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -2.571
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: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -95.280918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.280918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.280918 (E_RNA)
where:
Base-Base interactions energy: -43.414
where: short stacking energy: -21.629
Base-Backbone interact. energy: -0.252
local terms energy: -51.615374
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -97.581476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581476 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -34.004
Base-Backbone interact. energy: -0.207
local terms energy: -62.753568
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.012
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: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -254.098042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.098042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.098042 (E_RNA)
where:
Base-Base interactions energy: -174.575
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.389
local terms energy: -79.134268
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -255.114086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.114086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.114086 (E_RNA)
where:
Base-Base interactions energy: -172.568
where: short stacking energy: -71.225
Base-Backbone interact. energy: -0.307
local terms energy: -82.239808
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -226.479432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.479432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.479432 (E_RNA)
where:
Base-Base interactions energy: -146.787
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.166
local terms energy: -79.526715
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -19.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -194.286169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.286169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.286169 (E_RNA)
where:
Base-Base interactions energy: -118.869
where: short stacking energy: -53.210
Base-Backbone interact. energy: -0.070
local terms energy: -75.346583
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -191.480806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.480806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.480806 (E_RNA)
where:
Base-Base interactions energy: -119.722
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.868
local terms energy: -70.890983
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -148.844585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.844585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.844585 (E_RNA)
where:
Base-Base interactions energy: -96.329
where: short stacking energy: -44.963
Base-Backbone interact. energy: 0.589
local terms energy: -53.104274
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -149.753714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.753714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.753714 (E_RNA)
where:
Base-Base interactions energy: -86.672
where: short stacking energy: -41.140
Base-Backbone interact. energy: -0.582
local terms energy: -62.499676
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -7.357
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: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -91.935266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.935266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.935266 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -32.562
Base-Backbone interact. energy: -0.138
local terms energy: -59.074850
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -91.310926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.310926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.310926 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.229
local terms energy: -55.752623
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: 4.062
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: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -80.958370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.958370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.958370 (E_RNA)
where:
Base-Base interactions energy: -26.194
where: short stacking energy: -26.194
Base-Backbone interact. energy: -1.008
local terms energy: -53.756242
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -4.405
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: 373
Temperature: 0.900000
Total energy: -247.721395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.721395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.721395 (E_RNA)
where:
Base-Base interactions energy: -162.436
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.316
local terms energy: -84.969841
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -18.818
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: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -233.489061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.489061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.489061 (E_RNA)
where:
Base-Base interactions energy: -156.409
where: short stacking energy: -70.737
Base-Backbone interact. energy: -1.012
local terms energy: -76.067425
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -202.777626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.777626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.777626 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -56.089
Base-Backbone interact. energy: -0.038
local terms energy: -69.851468
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -201.847684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.847684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.847684 (E_RNA)
where:
Base-Base interactions energy: -134.680
where: short stacking energy: -47.475
Base-Backbone interact. energy: -0.595
local terms energy: -66.571810
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -194.000727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.000727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.000727 (E_RNA)
where:
Base-Base interactions energy: -124.176
where: short stacking energy: -53.617
Base-Backbone interact. energy: -0.398
local terms energy: -69.426605
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -7.095
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: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -180.859197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.859197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.859197 (E_RNA)
where:
Base-Base interactions energy: -111.225
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.191
local terms energy: -69.442918
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -12.016
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: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -154.762522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.762522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.762522 (E_RNA)
where:
Base-Base interactions energy: -91.749
where: short stacking energy: -45.273
Base-Backbone interact. energy: -0.185
local terms energy: -62.829272
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -10.210
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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -90.508899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.508899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.508899 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -32.965
Base-Backbone interact. energy: -0.143
local terms energy: -57.400622
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -90.371572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.371572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.371572 (E_RNA)
where:
Base-Base interactions energy: -24.932
where: short stacking energy: -22.688
Base-Backbone interact. energy: -0.150
local terms energy: -65.290013
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -12.488
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: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -90.127207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.127207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.127207 (E_RNA)
where:
Base-Base interactions energy: -30.522
where: short stacking energy: -20.416
Base-Backbone interact. energy: -0.045
local terms energy: -59.559486
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -12.114
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: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -244.508621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.508621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.508621 (E_RNA)
where:
Base-Base interactions energy: -161.370
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.354
local terms energy: -82.784512
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -249.089572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.089572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.089572 (E_RNA)
where:
Base-Base interactions energy: -164.152
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.227
local terms energy: -84.710276
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -214.448708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.448708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.448708 (E_RNA)
where:
Base-Base interactions energy: -132.916
where: short stacking energy: -56.785
Base-Backbone interact. energy: -1.036
local terms energy: -80.496986
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -220.702748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.702748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.702748 (E_RNA)
where:
Base-Base interactions energy: -143.334
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.333
local terms energy: -77.036616
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -184.626675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.626675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626675 (E_RNA)
where:
Base-Base interactions energy: -119.056
where: short stacking energy: -49.128
Base-Backbone interact. energy: -0.398
local terms energy: -65.172688
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -8.825
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -179.732194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.732194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.732194 (E_RNA)
where:
Base-Base interactions energy: -110.919
where: short stacking energy: -53.025
Base-Backbone interact. energy: -1.033
local terms energy: -67.779393
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -165.939513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.939513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.939513 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -43.396
Base-Backbone interact. energy: -0.249
local terms energy: -64.979574
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -104.145476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.145476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.145476 (E_RNA)
where:
Base-Base interactions energy: -36.493
where: short stacking energy: -36.355
Base-Backbone interact. energy: -0.031
local terms energy: -67.621656
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -8.652
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: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -84.474051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.474051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.474051 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -26.532
Base-Backbone interact. energy: -0.078
local terms energy: -51.087714
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -78.092103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.092103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.092103 (E_RNA)
where:
Base-Base interactions energy: -23.739
where: short stacking energy: -22.851
Base-Backbone interact. energy: 0.565
local terms energy: -54.918451
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -7.903
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: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -249.331631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.331631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.331631 (E_RNA)
where:
Base-Base interactions energy: -172.910
where: short stacking energy: -64.793
Base-Backbone interact. energy: -0.640
local terms energy: -75.781787
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -229.119408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.119408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.119408 (E_RNA)
where:
Base-Base interactions energy: -147.623
where: short stacking energy: -61.789
Base-Backbone interact. energy: -1.804
local terms energy: -79.692651
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -247.439827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.439827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.439827 (E_RNA)
where:
Base-Base interactions energy: -165.974
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.694
local terms energy: -80.771497
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -16.954
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: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -203.888639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.888639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.888639 (E_RNA)
where:
Base-Base interactions energy: -130.516
where: short stacking energy: -70.221
Base-Backbone interact. energy: -0.031
local terms energy: -73.341577
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -17.141
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: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -221.097008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.097008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097008 (E_RNA)
where:
Base-Base interactions energy: -144.873
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.637
local terms energy: -75.587054
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -16.705
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: 375
Temperature: 1.150000
Total energy: -181.279030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.279030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.279030 (E_RNA)
where:
Base-Base interactions energy: -104.285
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.039
local terms energy: -76.955172
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -145.458003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.458003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.458003 (E_RNA)
where:
Base-Base interactions energy: -87.861
where: short stacking energy: -41.259
Base-Backbone interact. energy: -1.454
local terms energy: -56.142604
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -4.800
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: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -93.759921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.759921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.759921 (E_RNA)
where:
Base-Base interactions energy: -40.739
where: short stacking energy: -27.246
Base-Backbone interact. energy: 0.268
local terms energy: -53.289471
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -2.973
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: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -80.815149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.815149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.815149 (E_RNA)
where:
Base-Base interactions energy: -30.787
where: short stacking energy: -23.317
Base-Backbone interact. energy: -0.065
local terms energy: -49.962996
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: 6.199
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: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -87.743189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.743189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.743189 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -24.679
Base-Backbone interact. energy: -0.160
local terms energy: -49.436176
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -242.091613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.091613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.091613 (E_RNA)
where:
Base-Base interactions energy: -163.855
where: short stacking energy: -77.663
Base-Backbone interact. energy: -0.047
local terms energy: -78.189552
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -251.171461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.171461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.171461 (E_RNA)
where:
Base-Base interactions energy: -169.741
where: short stacking energy: -75.327
Base-Backbone interact. energy: -0.438
local terms energy: -80.992149
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -235.333286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.333286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.333286 (E_RNA)
where:
Base-Base interactions energy: -160.930
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.248
local terms energy: -74.155291
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -20.396
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: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -193.782835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.782835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.782835 (E_RNA)
where:
Base-Base interactions energy: -116.266
where: short stacking energy: -59.426
Base-Backbone interact. energy: -0.034
local terms energy: -77.482716
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -183.005107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.005107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.005107 (E_RNA)
where:
Base-Base interactions energy: -108.825
where: short stacking energy: -56.043
Base-Backbone interact. energy: -0.002
local terms energy: -74.178495
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -164.182637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.182637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.182637 (E_RNA)
where:
Base-Base interactions energy: -94.326
where: short stacking energy: -44.435
Base-Backbone interact. energy: -0.021
local terms energy: -69.835235
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -166.170490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.170490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.170490 (E_RNA)
where:
Base-Base interactions energy: -106.198
where: short stacking energy: -53.270
Base-Backbone interact. energy: -0.587
local terms energy: -59.385626
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -93.137719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.137719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.137719 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.209
local terms energy: -61.138419
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -4.482
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -85.992987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.992987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.992987 (E_RNA)
where:
Base-Base interactions energy: -29.904
where: short stacking energy: -21.106
Base-Backbone interact. energy: -0.102
local terms energy: -55.987536
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -1.190
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: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -78.613182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.613182 (E_RNA)
where:
Base-Base interactions energy: -27.572
where: short stacking energy: -22.838
Base-Backbone interact. energy: -0.111
local terms energy: -50.929965
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -232.155184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.155184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.155184 (E_RNA)
where:
Base-Base interactions energy: -155.933
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.357
local terms energy: -75.864891
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -244.293196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.293196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.293196 (E_RNA)
where:
Base-Base interactions energy: -163.588
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.757
local terms energy: -79.947724
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -234.771800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.771800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.771800 (E_RNA)
where:
Base-Base interactions energy: -158.348
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.338
local terms energy: -76.085984
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -16.325
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: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -195.134843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.134843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.134843 (E_RNA)
where:
Base-Base interactions energy: -117.030
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.265
local terms energy: -77.839345
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -183.619050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.619050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.619050 (E_RNA)
where:
Base-Base interactions energy: -107.064
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.227
local terms energy: -76.327851
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -8.365
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: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -168.013361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.013361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.013361 (E_RNA)
where:
Base-Base interactions energy: -105.405
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.183
local terms energy: -62.425928
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -13.464
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: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -164.095800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.095800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.095800 (E_RNA)
where:
Base-Base interactions energy: -91.157
where: short stacking energy: -41.005
Base-Backbone interact. energy: -0.158
local terms energy: -72.780381
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -94.062668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.062668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.062668 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -32.077
Base-Backbone interact. energy: -1.051
local terms energy: -57.268193
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -8.921
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: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -80.987077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987077 (E_RNA)
where:
Base-Base interactions energy: -30.473
where: short stacking energy: -27.294
Base-Backbone interact. energy: -1.236
local terms energy: -49.278406
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -1.874
tors. eta vs tors. theta energy: -0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -96.492457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.492457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.492457 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -34.045
Base-Backbone interact. energy: -0.189
local terms energy: -61.677883
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -255.863299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.863299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.863299 (E_RNA)
where:
Base-Base interactions energy: -170.532
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.675
local terms energy: -84.656364
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -223.241285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.241285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.241285 (E_RNA)
where:
Base-Base interactions energy: -135.052
where: short stacking energy: -65.874
Base-Backbone interact. energy: -0.036
local terms energy: -88.153594
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -231.902331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.902331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.902331 (E_RNA)
where:
Base-Base interactions energy: -154.995
where: short stacking energy: -69.706
Base-Backbone interact. energy: 1.694
local terms energy: -78.601904
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -193.816217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.816217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.816217 (E_RNA)
where:
Base-Base interactions energy: -130.685
where: short stacking energy: -55.647
Base-Backbone interact. energy: -0.128
local terms energy: -63.003721
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -174.763974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.763974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.763974 (E_RNA)
where:
Base-Base interactions energy: -114.249
where: short stacking energy: -37.420
Base-Backbone interact. energy: -0.483
local terms energy: -60.032170
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -178.332143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.332143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.332143 (E_RNA)
where:
Base-Base interactions energy: -105.589
where: short stacking energy: -52.333
Base-Backbone interact. energy: -0.493
local terms energy: -72.250796
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -172.247865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.247865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.247865 (E_RNA)
where:
Base-Base interactions energy: -109.583
where: short stacking energy: -54.974
Base-Backbone interact. energy: 0.066
local terms energy: -62.730894
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -100.198069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.198069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.198069 (E_RNA)
where:
Base-Base interactions energy: -46.747
where: short stacking energy: -30.504
Base-Backbone interact. energy: -0.438
local terms energy: -53.012911
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -2.852
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: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -80.936064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.936064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.936064 (E_RNA)
where:
Base-Base interactions energy: -28.655
where: short stacking energy: -24.964
Base-Backbone interact. energy: -0.097
local terms energy: -52.184796
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -7.305
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -88.490370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.490370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.490370 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.048
local terms energy: -53.393314
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -252.269250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.269250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.269250 (E_RNA)
where:
Base-Base interactions energy: -172.941
where: short stacking energy: -62.234
Base-Backbone interact. energy: -1.250
local terms energy: -78.077730
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -212.916401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.916401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.916401 (E_RNA)
where:
Base-Base interactions energy: -126.668
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.167
local terms energy: -86.080916
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -242.813827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.813827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.813827 (E_RNA)
where:
Base-Base interactions energy: -160.653
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.149
local terms energy: -82.012218
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -203.861200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.861200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.861200 (E_RNA)
where:
Base-Base interactions energy: -132.283
where: short stacking energy: -61.198
Base-Backbone interact. energy: -1.176
local terms energy: -70.402476
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.267
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: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -238.156340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.156340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.156340 (E_RNA)
where:
Base-Base interactions energy: -161.862
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.330
local terms energy: -75.964444
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -179.236158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.236158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.236158 (E_RNA)
where:
Base-Base interactions energy: -114.213
where: short stacking energy: -58.089
Base-Backbone interact. energy: -0.149
local terms energy: -64.874333
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -157.515045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.515045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.515045 (E_RNA)
where:
Base-Base interactions energy: -97.341
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.231
local terms energy: -59.942928
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -10.185
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: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -92.482276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.482276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.482276 (E_RNA)
where:
Base-Base interactions energy: -35.863
where: short stacking energy: -23.591
Base-Backbone interact. energy: -0.980
local terms energy: -55.638878
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -91.394444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.394444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.394444 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.007
local terms energy: -56.201475
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -76.048007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.048007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.048007 (E_RNA)
where:
Base-Base interactions energy: -26.471
where: short stacking energy: -17.150
Base-Backbone interact. energy: -0.202
local terms energy: -49.374495
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: 3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -231.569020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.569020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.569020 (E_RNA)
where:
Base-Base interactions energy: -137.164
where: short stacking energy: -79.568
Base-Backbone interact. energy: -0.001
local terms energy: -94.403884
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -249.098182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.098182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.098182 (E_RNA)
where:
Base-Base interactions energy: -168.776
where: short stacking energy: -72.202
Base-Backbone interact. energy: -0.455
local terms energy: -79.867437
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -19.971
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: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -236.418310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.418310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.418310 (E_RNA)
where:
Base-Base interactions energy: -151.790
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.860
local terms energy: -83.768740
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -14.504
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: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -188.306414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.306414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.306414 (E_RNA)
where:
Base-Base interactions energy: -114.020
where: short stacking energy: -53.865
Base-Backbone interact. energy: -1.215
local terms energy: -73.071415
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -201.282220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.282220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.282220 (E_RNA)
where:
Base-Base interactions energy: -135.983
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.190
local terms energy: -65.109144
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -179.122486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.122486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.122486 (E_RNA)
where:
Base-Base interactions energy: -110.741
where: short stacking energy: -47.058
Base-Backbone interact. energy: 0.160
local terms energy: -68.541665
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -10.245
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: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -183.517310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.517310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.517310 (E_RNA)
where:
Base-Base interactions energy: -113.279
where: short stacking energy: -50.570
Base-Backbone interact. energy: -1.089
local terms energy: -69.148839
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -104.691286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.691286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.691286 (E_RNA)
where:
Base-Base interactions energy: -46.736
where: short stacking energy: -23.432
Base-Backbone interact. energy: -2.858
local terms energy: -55.097728
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: 1.186
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: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -83.847052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.847052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.847052 (E_RNA)
where:
Base-Base interactions energy: -24.403
where: short stacking energy: -22.470
Base-Backbone interact. energy: -1.444
local terms energy: -57.999910
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -91.989137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.989137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.989137 (E_RNA)
where:
Base-Base interactions energy: -36.203
where: short stacking energy: -34.634
Base-Backbone interact. energy: -0.111
local terms energy: -55.675395
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -211.481133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.481133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.481133 (E_RNA)
where:
Base-Base interactions energy: -134.154
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.321
local terms energy: -77.005618
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -259.245920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.245920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.245920 (E_RNA)
where:
Base-Base interactions energy: -174.836
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.313
local terms energy: -84.096598
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -18.135
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: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -233.618530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.618530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.618530 (E_RNA)
where:
Base-Base interactions energy: -148.735
where: short stacking energy: -66.059
Base-Backbone interact. energy: -0.193
local terms energy: -84.689705
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -219.921196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.921196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.921196 (E_RNA)
where:
Base-Base interactions energy: -152.370
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.166
local terms energy: -67.384617
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -192.215052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.215052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.215052 (E_RNA)
where:
Base-Base interactions energy: -118.759
where: short stacking energy: -54.020
Base-Backbone interact. energy: 3.957
local terms energy: -77.412632
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -180.762836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.762836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.762836 (E_RNA)
where:
Base-Base interactions energy: -110.022
where: short stacking energy: -59.257
Base-Backbone interact. energy: -0.196
local terms energy: -70.544793
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -177.474482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.474482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.474482 (E_RNA)
where:
Base-Base interactions energy: -110.674
where: short stacking energy: -49.899
Base-Backbone interact. energy: -0.034
local terms energy: -66.766047
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -83.254707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.254707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.254707 (E_RNA)
where:
Base-Base interactions energy: -33.645
where: short stacking energy: -24.888
Base-Backbone interact. energy: 0.989
local terms energy: -50.597998
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -8.575
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -94.712599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.712599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.712599 (E_RNA)
where:
Base-Base interactions energy: -40.809
where: short stacking energy: -20.806
Base-Backbone interact. energy: -1.164
local terms energy: -52.739277
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -7.907
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: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -79.692684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.692684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.692684 (E_RNA)
where:
Base-Base interactions energy: -27.098
where: short stacking energy: -27.098
Base-Backbone interact. energy: 1.074
local terms energy: -53.668504
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -7.017
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: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -257.344374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.344374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.344374 (E_RNA)
where:
Base-Base interactions energy: -167.908
where: short stacking energy: -71.980
Base-Backbone interact. energy: -0.364
local terms energy: -89.072901
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -214.045617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.045617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.045617 (E_RNA)
where:
Base-Base interactions energy: -131.982
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.197
local terms energy: -81.866710
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -216.719897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.719897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.719897 (E_RNA)
where:
Base-Base interactions energy: -152.728
where: short stacking energy: -56.322
Base-Backbone interact. energy: -0.179
local terms energy: -63.813516
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -221.051025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.051025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.051025 (E_RNA)
where:
Base-Base interactions energy: -151.144
where: short stacking energy: -70.291
Base-Backbone interact. energy: 0.217
local terms energy: -70.123762
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -16.227
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: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -186.871399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.871399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.871399 (E_RNA)
where:
Base-Base interactions energy: -116.153
where: short stacking energy: -54.239
Base-Backbone interact. energy: -0.558
local terms energy: -70.161095
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -171.832915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.832915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.832915 (E_RNA)
where:
Base-Base interactions energy: -102.722
where: short stacking energy: -50.487
Base-Backbone interact. energy: -0.562
local terms energy: -68.549100
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -187.726480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.726480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.726480 (E_RNA)
where:
Base-Base interactions energy: -124.410
where: short stacking energy: -59.490
Base-Backbone interact. energy: 0.020
local terms energy: -63.335606
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -102.638992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.638992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.638992 (E_RNA)
where:
Base-Base interactions energy: -43.339
where: short stacking energy: -30.408
Base-Backbone interact. energy: -0.569
local terms energy: -58.730997
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: 4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -78.823817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.823817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.823817 (E_RNA)
where:
Base-Base interactions energy: -36.593
where: short stacking energy: -27.227
Base-Backbone interact. energy: 3.046
local terms energy: -45.277048
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -7.694
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: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -86.121921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.121921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.121921 (E_RNA)
where:
Base-Base interactions energy: -25.834
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.063
local terms energy: -60.224827
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -258.418485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.418485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.418485 (E_RNA)
where:
Base-Base interactions energy: -173.949
where: short stacking energy: -69.374
Base-Backbone interact. energy: -0.684
local terms energy: -83.785290
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -225.047611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.047611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.047611 (E_RNA)
where:
Base-Base interactions energy: -145.790
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.453
local terms energy: -78.804960
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -218.295302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.295302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.295302 (E_RNA)
where:
Base-Base interactions energy: -151.537
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.128
local terms energy: -66.630106
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -217.213468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.213468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.213468 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.724
local terms energy: -73.639294
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -202.273809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.273809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.273809 (E_RNA)
where:
Base-Base interactions energy: -122.261
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.078
local terms energy: -79.935007
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -175.193941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.193941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.193941 (E_RNA)
where:
Base-Base interactions energy: -105.392
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.192
local terms energy: -69.610006
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -187.902069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.902069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.902069 (E_RNA)
where:
Base-Base interactions energy: -118.833
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.248
local terms energy: -68.821403
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -97.270203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.270203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.270203 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.007
local terms energy: -59.298258
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -9.523
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: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -88.659641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.659641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.659641 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -31.762
Base-Backbone interact. energy: -0.287
local terms energy: -56.569853
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -78.853764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.853764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.853764 (E_RNA)
where:
Base-Base interactions energy: -31.050
where: short stacking energy: -31.050
Base-Backbone interact. energy: -0.183
local terms energy: -47.621358
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -8.296
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -255.314767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.314767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.314767 (E_RNA)
where:
Base-Base interactions energy: -171.266
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.241
local terms energy: -83.808170
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -219.588413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.588413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.588413 (E_RNA)
where:
Base-Base interactions energy: -145.498
where: short stacking energy: -59.035
Base-Backbone interact. energy: -1.066
local terms energy: -73.024558
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.263
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: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -229.631611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.631611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.631611 (E_RNA)
where:
Base-Base interactions energy: -154.763
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.299
local terms energy: -74.570033
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -225.077639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.077639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.077639 (E_RNA)
where:
Base-Base interactions energy: -145.328
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.202
local terms energy: -79.547489
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -14.621
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: 384
Temperature: 1.100000
Total energy: -192.717285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.717285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.717285 (E_RNA)
where:
Base-Base interactions energy: -116.209
where: short stacking energy: -53.737
Base-Backbone interact. energy: -0.841
local terms energy: -75.667179
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -13.436
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: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -171.779932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.779932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.779932 (E_RNA)
where:
Base-Base interactions energy: -110.476
where: short stacking energy: -55.446
Base-Backbone interact. energy: -0.037
local terms energy: -61.267018
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -10.898
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: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -176.730450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.730450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.730450 (E_RNA)
where:
Base-Base interactions energy: -101.468
where: short stacking energy: -50.645
Base-Backbone interact. energy: -0.200
local terms energy: -75.063182
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -102.727663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.727663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.727663 (E_RNA)
where:
Base-Base interactions energy: -45.687
where: short stacking energy: -21.931
Base-Backbone interact. energy: -0.266
local terms energy: -56.775448
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -84.280074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.280074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.280074 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.143
local terms energy: -48.033884
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -73.667954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.667954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.667954 (E_RNA)
where:
Base-Base interactions energy: -28.667
where: short stacking energy: -28.667
Base-Backbone interact. energy: -0.113
local terms energy: -44.887190
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: 1.251
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: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -250.451556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.451556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.451556 (E_RNA)
where:
Base-Base interactions energy: -175.034
where: short stacking energy: -72.769
Base-Backbone interact. energy: -0.562
local terms energy: -74.856067
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -232.146886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.146886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.146886 (E_RNA)
where:
Base-Base interactions energy: -146.151
where: short stacking energy: -74.964
Base-Backbone interact. energy: -0.000
local terms energy: -85.995610
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -22.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -243.879590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.879590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.879590 (E_RNA)
where:
Base-Base interactions energy: -162.905
where: short stacking energy: -74.406
Base-Backbone interact. energy: -0.575
local terms energy: -80.399313
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -196.554854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.554854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.554854 (E_RNA)
where:
Base-Base interactions energy: -125.163
where: short stacking energy: -54.954
Base-Backbone interact. energy: -1.251
local terms energy: -70.140975
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -210.884716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.884716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.884716 (E_RNA)
where:
Base-Base interactions energy: -139.881
where: short stacking energy: -58.254
Base-Backbone interact. energy: 0.343
local terms energy: -71.346711
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -183.857097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.857097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.857097 (E_RNA)
where:
Base-Base interactions energy: -121.075
where: short stacking energy: -48.330
Base-Backbone interact. energy: 1.031
local terms energy: -63.813398
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -162.200020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.200020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.200020 (E_RNA)
where:
Base-Base interactions energy: -94.930
where: short stacking energy: -48.419
Base-Backbone interact. energy: -0.415
local terms energy: -66.854744
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -121.958020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.958020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.958020 (E_RNA)
where:
Base-Base interactions energy: -62.679
where: short stacking energy: -34.089
Base-Backbone interact. energy: -0.376
local terms energy: -58.903543
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -4.000
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: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -83.150065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150065 (E_RNA)
where:
Base-Base interactions energy: -30.258
where: short stacking energy: -25.722
Base-Backbone interact. energy: -0.025
local terms energy: -52.867549
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: 1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -85.463355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.463355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.463355 (E_RNA)
where:
Base-Base interactions energy: -39.109
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.651
local terms energy: -45.703412
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -1.293
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -263.757112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.757112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.757112 (E_RNA)
where:
Base-Base interactions energy: -169.716
where: short stacking energy: -70.815
Base-Backbone interact. energy: -0.288
local terms energy: -93.752645
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -224.225192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.225192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225192 (E_RNA)
where:
Base-Base interactions energy: -141.456
where: short stacking energy: -71.282
Base-Backbone interact. energy: -0.016
local terms energy: -82.753346
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -240.459769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.459769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.459769 (E_RNA)
where:
Base-Base interactions energy: -163.031
where: short stacking energy: -71.329
Base-Backbone interact. energy: -0.181
local terms energy: -77.248101
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -202.746243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.746243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.746243 (E_RNA)
where:
Base-Base interactions energy: -125.203
where: short stacking energy: -59.140
Base-Backbone interact. energy: 0.716
local terms energy: -78.258788
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -196.569469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.569469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.569469 (E_RNA)
where:
Base-Base interactions energy: -127.405
where: short stacking energy: -58.566
Base-Backbone interact. energy: -0.011
local terms energy: -69.153320
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -14.884
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: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -171.621566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.621566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.621566 (E_RNA)
where:
Base-Base interactions energy: -108.391
where: short stacking energy: -44.276
Base-Backbone interact. energy: -0.085
local terms energy: -63.145534
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -106.010635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.010635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.010635 (E_RNA)
where:
Base-Base interactions energy: -42.323
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.081
local terms energy: -63.606566
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -8.264
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: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -151.333842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.333842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.333842 (E_RNA)
where:
Base-Base interactions energy: -93.525
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.433
local terms energy: -57.376230
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -2.669
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: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -98.911026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.911026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.911026 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -39.713
Base-Backbone interact. energy: -0.081
local terms energy: -58.295872
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -6.981
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: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -74.348887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.348887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.348887 (E_RNA)
where:
Base-Base interactions energy: -28.611
where: short stacking energy: -26.382
Base-Backbone interact. energy: -0.224
local terms energy: -45.514060
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -6.283
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -251.516963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.516963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.516963 (E_RNA)
where:
Base-Base interactions energy: -169.988
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.877
local terms energy: -80.651589
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -228.288019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.288019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.288019 (E_RNA)
where:
Base-Base interactions energy: -141.011
where: short stacking energy: -61.612
Base-Backbone interact. energy: -0.102
local terms energy: -87.175772
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -226.037392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.037392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.037392 (E_RNA)
where:
Base-Base interactions energy: -138.860
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.209
local terms energy: -86.968496
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -199.653958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.653958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.653958 (E_RNA)
where:
Base-Base interactions energy: -124.577
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.022
local terms energy: -75.055735
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -13.705
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: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -213.542544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.542544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.542544 (E_RNA)
where:
Base-Base interactions energy: -144.410
where: short stacking energy: -57.682
Base-Backbone interact. energy: 0.256
local terms energy: -69.388878
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -205.162030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.162030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.162030 (E_RNA)
where:
Base-Base interactions energy: -130.157
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.704
local terms energy: -74.300623
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -126.610923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.610923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.610923 (E_RNA)
where:
Base-Base interactions energy: -61.858
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.273
local terms energy: -64.479905
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -6.588
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: 387
Temperature: 1.250000
Total energy: -152.811633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.811633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.811633 (E_RNA)
where:
Base-Base interactions energy: -94.169
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.259
local terms energy: -58.383014
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -86.420610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.420610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.420610 (E_RNA)
where:
Base-Base interactions energy: -38.758
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.086
local terms energy: -47.577346
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -82.845270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.845270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.845270 (E_RNA)
where:
Base-Base interactions energy: -23.486
where: short stacking energy: -22.371
Base-Backbone interact. energy: -0.237
local terms energy: -59.122241
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -260.663513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.663513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.663513 (E_RNA)
where:
Base-Base interactions energy: -181.307
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.220
local terms energy: -79.136297
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -230.584201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.584201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.584201 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.104
local terms energy: -83.049063
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -231.616067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.616067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.616067 (E_RNA)
where:
Base-Base interactions energy: -153.984
where: short stacking energy: -67.619
Base-Backbone interact. energy: -0.047
local terms energy: -77.585530
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -206.321977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321977 (E_RNA)
where:
Base-Base interactions energy: -129.066
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.652
local terms energy: -76.603871
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -200.542376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542376 (E_RNA)
where:
Base-Base interactions energy: -121.187
where: short stacking energy: -55.485
Base-Backbone interact. energy: -0.054
local terms energy: -79.300771
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -181.210840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.210840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.210840 (E_RNA)
where:
Base-Base interactions energy: -110.508
where: short stacking energy: -47.258
Base-Backbone interact. energy: 0.134
local terms energy: -70.836841
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -16.273
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: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -144.571464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.571464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.571464 (E_RNA)
where:
Base-Base interactions energy: -83.148
where: short stacking energy: -47.092
Base-Backbone interact. energy: 0.725
local terms energy: -62.147969
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -96.490685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.490685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.490685 (E_RNA)
where:
Base-Base interactions energy: -34.583
where: short stacking energy: -34.500
Base-Backbone interact. energy: -1.042
local terms energy: -60.865962
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -87.971543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971543 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -21.386
Base-Backbone interact. energy: -0.858
local terms energy: -57.239235
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -2.657
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: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -82.383368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.383368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.383368 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -27.493
Base-Backbone interact. energy: 0.393
local terms energy: -55.117839
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -262.145463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.145463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.145463 (E_RNA)
where:
Base-Base interactions energy: -180.421
where: short stacking energy: -58.686
Base-Backbone interact. energy: -0.752
local terms energy: -80.972283
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -19.424
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: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -250.125494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.125494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.125494 (E_RNA)
where:
Base-Base interactions energy: -169.771
where: short stacking energy: -70.080
Base-Backbone interact. energy: -0.127
local terms energy: -80.226893
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -225.628373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.628373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.628373 (E_RNA)
where:
Base-Base interactions energy: -142.484
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.079
local terms energy: -83.066110
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -21.801
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: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -218.477570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.477570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.477570 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -76.541
Base-Backbone interact. energy: -0.029
local terms energy: -67.600176
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -19.649
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: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -193.374342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.374342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.374342 (E_RNA)
where:
Base-Base interactions energy: -124.548
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.038
local terms energy: -68.787696
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -177.200975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.200975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.200975 (E_RNA)
where:
Base-Base interactions energy: -109.086
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.088
local terms energy: -68.027509
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -126.750893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.750893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.750893 (E_RNA)
where:
Base-Base interactions energy: -69.613
where: short stacking energy: -36.925
Base-Backbone interact. energy: 0.660
local terms energy: -57.798340
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -95.382608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.382608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.382608 (E_RNA)
where:
Base-Base interactions energy: -42.443
where: short stacking energy: -28.464
Base-Backbone interact. energy: -0.159
local terms energy: -52.780490
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -89.153209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.153209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.153209 (E_RNA)
where:
Base-Base interactions energy: -39.251
where: short stacking energy: -37.811
Base-Backbone interact. energy: -1.026
local terms energy: -48.876540
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -78.360819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.360819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.360819 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -27.558
Base-Backbone interact. energy: -0.147
local terms energy: -46.354842
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -4.423
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: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -251.232039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.232039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.232039 (E_RNA)
where:
Base-Base interactions energy: -174.114
where: short stacking energy: -75.162
Base-Backbone interact. energy: -0.106
local terms energy: -77.012292
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -16.529
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: 390
Temperature: 0.950000
Total energy: -254.220736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.220736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.220736 (E_RNA)
where:
Base-Base interactions energy: -165.476
where: short stacking energy: -76.971
Base-Backbone interact. energy: -0.299
local terms energy: -88.445203
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -229.716589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.716589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.716589 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -72.017
Base-Backbone interact. energy: -0.552
local terms energy: -85.754046
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -233.194756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.194756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.194756 (E_RNA)
where:
Base-Base interactions energy: -160.103
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.308
local terms energy: -72.783810
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -195.644363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.644363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.644363 (E_RNA)
where:
Base-Base interactions energy: -114.486
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.178
local terms energy: -80.981161
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -175.512384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.512384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.512384 (E_RNA)
where:
Base-Base interactions energy: -112.055
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.035
local terms energy: -63.423199
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -7.538
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -146.071292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.071292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.071292 (E_RNA)
where:
Base-Base interactions energy: -84.875
where: short stacking energy: -42.573
Base-Backbone interact. energy: 0.485
local terms energy: -61.681111
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -88.515931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.515931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.515931 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.310
local terms energy: -48.546626
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: 1.046
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: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -90.576849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.576849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.576849 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -20.486
Base-Backbone interact. energy: -0.282
local terms energy: -56.941438
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -88.959753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.959753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.959753 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -19.778
Base-Backbone interact. energy: -0.291
local terms energy: -61.010722
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -244.939682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.939682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.939682 (E_RNA)
where:
Base-Base interactions energy: -163.082
where: short stacking energy: -73.587
Base-Backbone interact. energy: -0.295
local terms energy: -81.562594
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -226.530203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.530203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.530203 (E_RNA)
where:
Base-Base interactions energy: -139.577
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.001
local terms energy: -86.951559
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -241.139958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.139958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.139958 (E_RNA)
where:
Base-Base interactions energy: -155.405
where: short stacking energy: -62.003
Base-Backbone interact. energy: 0.001
local terms energy: -85.735972
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -242.623471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.623471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.623471 (E_RNA)
where:
Base-Base interactions energy: -161.374
where: short stacking energy: -66.526
Base-Backbone interact. energy: -0.665
local terms energy: -80.584489
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.537
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: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -186.022536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.022536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.022536 (E_RNA)
where:
Base-Base interactions energy: -125.862
where: short stacking energy: -53.206
Base-Backbone interact. energy: -0.191
local terms energy: -59.969625
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -6.921
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -189.782926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.782926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.782926 (E_RNA)
where:
Base-Base interactions energy: -117.099
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.011
local terms energy: -72.672876
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -188.044337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.044337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.044337 (E_RNA)
where:
Base-Base interactions energy: -114.810
where: short stacking energy: -52.355
Base-Backbone interact. energy: 0.040
local terms energy: -73.274599
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -91.182402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.182402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.182402 (E_RNA)
where:
Base-Base interactions energy: -35.190
where: short stacking energy: -33.891
Base-Backbone interact. energy: -0.032
local terms energy: -55.960729
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -90.223423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.223423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.223423 (E_RNA)
where:
Base-Base interactions energy: -40.547
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.368
local terms energy: -49.309129
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: 1.709
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: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -83.074364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.074364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.074364 (E_RNA)
where:
Base-Base interactions energy: -22.414
where: short stacking energy: -17.888
Base-Backbone interact. energy: -0.957
local terms energy: -59.703869
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -1.425
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: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -230.128530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.128530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.128530 (E_RNA)
where:
Base-Base interactions energy: -145.259
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.786
local terms energy: -84.082833
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -247.062958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.062958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.062958 (E_RNA)
where:
Base-Base interactions energy: -165.803
where: short stacking energy: -71.598
Base-Backbone interact. energy: -0.036
local terms energy: -81.223791
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -240.562998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.562998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.562998 (E_RNA)
where:
Base-Base interactions energy: -158.123
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.459
local terms energy: -81.981525
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -16.822
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: 392
Temperature: 1.050000
Total energy: -245.933417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.933417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.933417 (E_RNA)
where:
Base-Base interactions energy: -161.346
where: short stacking energy: -69.621
Base-Backbone interact. energy: -0.265
local terms energy: -84.321869
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -211.319299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.319299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.319299 (E_RNA)
where:
Base-Base interactions energy: -131.645
where: short stacking energy: -60.948
Base-Backbone interact. energy: 0.004
local terms energy: -79.678898
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -198.322225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.322225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.322225 (E_RNA)
where:
Base-Base interactions energy: -128.848
where: short stacking energy: -59.285
Base-Backbone interact. energy: -0.106
local terms energy: -69.368379
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -164.859531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.859531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.859531 (E_RNA)
where:
Base-Base interactions energy: -104.574
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.515
local terms energy: -59.770226
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -109.224484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.224484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.224484 (E_RNA)
where:
Base-Base interactions energy: -62.503
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.150
local terms energy: -46.571273
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -87.214879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.214879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.214879 (E_RNA)
where:
Base-Base interactions energy: -41.381
where: short stacking energy: -32.233
Base-Backbone interact. energy: 0.238
local terms energy: -46.072171
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -0.275
tors. eta vs tors. theta energy: 0.265
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: 392
Temperature: 1.350000
Total energy: -87.330713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.330713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.330713 (E_RNA)
where:
Base-Base interactions energy: -40.132
where: short stacking energy: -40.079
Base-Backbone interact. energy: -0.136
local terms energy: -47.063020
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -233.507657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.507657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.507657 (E_RNA)
where:
Base-Base interactions energy: -150.154
where: short stacking energy: -76.921
Base-Backbone interact. energy: -0.214
local terms energy: -83.140295
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -22.280
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: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -244.840407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.840407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.840407 (E_RNA)
where:
Base-Base interactions energy: -175.115
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.345
local terms energy: -69.380646
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -238.005779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.005779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.005779 (E_RNA)
where:
Base-Base interactions energy: -161.255
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.374
local terms energy: -76.376155
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -6.598
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: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -242.955097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.955097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.955097 (E_RNA)
where:
Base-Base interactions energy: -166.888
where: short stacking energy: -63.493
Base-Backbone interact. energy: 0.306
local terms energy: -76.372542
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -196.889959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.889959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.889959 (E_RNA)
where:
Base-Base interactions energy: -122.152
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.929
local terms energy: -73.808653
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -13.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -209.971420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.971420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.971420 (E_RNA)
where:
Base-Base interactions energy: -142.824
where: short stacking energy: -66.629
Base-Backbone interact. energy: 1.576
local terms energy: -68.723731
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -190.567018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.567018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.567018 (E_RNA)
where:
Base-Base interactions energy: -109.207
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.550
local terms energy: -80.810041
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -88.097191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.097191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.097191 (E_RNA)
where:
Base-Base interactions energy: -25.358
where: short stacking energy: -25.175
Base-Backbone interact. energy: -0.469
local terms energy: -62.269893
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -85.527071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.527071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.527071 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -32.969
Base-Backbone interact. energy: 1.667
local terms energy: -54.225444
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -87.151977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.151977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.151977 (E_RNA)
where:
Base-Base interactions energy: -26.582
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.131
local terms energy: -60.438847
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -1.632
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: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -241.534202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.534202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.534202 (E_RNA)
where:
Base-Base interactions energy: -153.265
where: short stacking energy: -80.608
Base-Backbone interact. energy: -3.372
local terms energy: -84.896550
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -23.429
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: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -251.072279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.072279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.072279 (E_RNA)
where:
Base-Base interactions energy: -171.333
where: short stacking energy: -68.132
Base-Backbone interact. energy: -0.074
local terms energy: -79.664502
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -17.383
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: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -248.102658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.102658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.102658 (E_RNA)
where:
Base-Base interactions energy: -166.389
where: short stacking energy: -69.048
Base-Backbone interact. energy: -1.050
local terms energy: -80.664027
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -238.914345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.914345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.914345 (E_RNA)
where:
Base-Base interactions energy: -154.905
where: short stacking energy: -66.482
Base-Backbone interact. energy: -1.526
local terms energy: -82.483422
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -22.136
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: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -184.684793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.684793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.684793 (E_RNA)
where:
Base-Base interactions energy: -110.447
where: short stacking energy: -59.335
Base-Backbone interact. energy: -0.157
local terms energy: -74.080983
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -185.414071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.414071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.414071 (E_RNA)
where:
Base-Base interactions energy: -120.351
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.093
local terms energy: -64.969417
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -14.769
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: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -162.317383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.317383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.317383 (E_RNA)
where:
Base-Base interactions energy: -99.649
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.708
local terms energy: -61.960486
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -95.030595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.030595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.030595 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.146
local terms energy: -58.472431
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -89.993371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.993371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.993371 (E_RNA)
where:
Base-Base interactions energy: -34.559
where: short stacking energy: -34.559
Base-Backbone interact. energy: 0.209
local terms energy: -55.643499
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -6.373
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: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -80.614582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.614582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.614582 (E_RNA)
where:
Base-Base interactions energy: -29.233
where: short stacking energy: -29.233
Base-Backbone interact. energy: 0.050
local terms energy: -51.431735
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -243.001965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.001965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.001965 (E_RNA)
where:
Base-Base interactions energy: -150.691
where: short stacking energy: -88.728
Base-Backbone interact. energy: -0.091
local terms energy: -92.219461
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -256.824814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.824814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.824814 (E_RNA)
where:
Base-Base interactions energy: -176.766
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.067
local terms energy: -79.991174
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -249.124564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.124564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.124564 (E_RNA)
where:
Base-Base interactions energy: -168.294
where: short stacking energy: -70.539
Base-Backbone interact. energy: -0.313
local terms energy: -80.517078
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -206.029534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.029534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.029534 (E_RNA)
where:
Base-Base interactions energy: -132.589
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.729
local terms energy: -72.710823
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -166.635276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.635276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.635276 (E_RNA)
where:
Base-Base interactions energy: -106.172
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.068
local terms energy: -60.395322
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -168.260616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.260616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.260616 (E_RNA)
where:
Base-Base interactions energy: -106.102
where: short stacking energy: -44.965
Base-Backbone interact. energy: -0.916
local terms energy: -61.242250
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -179.941402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.941402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.941402 (E_RNA)
where:
Base-Base interactions energy: -108.042
where: short stacking energy: -49.681
Base-Backbone interact. energy: 0.915
local terms energy: -72.814269
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -86.149033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.149033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.149033 (E_RNA)
where:
Base-Base interactions energy: -45.522
where: short stacking energy: -19.683
Base-Backbone interact. energy: 0.273
local terms energy: -40.900827
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -1.911
tors. eta vs tors. theta energy: 1.110
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: 395
Temperature: 1.300000
Total energy: -86.670616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.670616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.670616 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -19.475
Base-Backbone interact. energy: 0.104
local terms energy: -51.633670
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: 2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -88.047885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047885 (E_RNA)
where:
Base-Base interactions energy: -27.418
where: short stacking energy: -27.418
Base-Backbone interact. energy: -0.178
local terms energy: -60.451818
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -257.317138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.317138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.317138 (E_RNA)
where:
Base-Base interactions energy: -181.502
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.258
local terms energy: -75.557386
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -223.862018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.862018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.862018 (E_RNA)
where:
Base-Base interactions energy: -149.961
where: short stacking energy: -64.039
Base-Backbone interact. energy: -1.087
local terms energy: -72.814185
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -15.058
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: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -254.647009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.647009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.647009 (E_RNA)
where:
Base-Base interactions energy: -170.970
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.390
local terms energy: -83.286827
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -205.283481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.283481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.283481 (E_RNA)
where:
Base-Base interactions energy: -125.935
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.029
local terms energy: -79.319591
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -199.835968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.835968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.835968 (E_RNA)
where:
Base-Base interactions energy: -130.212
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.372
local terms energy: -69.251806
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -15.788
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: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -198.510512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.510512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.510512 (E_RNA)
where:
Base-Base interactions energy: -130.254
where: short stacking energy: -59.440
Base-Backbone interact. energy: 0.061
local terms energy: -68.317130
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -173.281411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.281411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.281411 (E_RNA)
where:
Base-Base interactions energy: -103.187
where: short stacking energy: -49.917
Base-Backbone interact. energy: -0.003
local terms energy: -70.091654
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -86.565700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.565700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.565700 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -23.534
Base-Backbone interact. energy: 0.459
local terms energy: -52.572837
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -86.191125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.191125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.191125 (E_RNA)
where:
Base-Base interactions energy: -30.933
where: short stacking energy: -24.289
Base-Backbone interact. energy: 1.962
local terms energy: -57.219687
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -8.621
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: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -83.092036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.092036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.092036 (E_RNA)
where:
Base-Base interactions energy: -32.188
where: short stacking energy: -30.575
Base-Backbone interact. energy: -0.205
local terms energy: -50.698155
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.872
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: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -257.011319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.011319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.011319 (E_RNA)
where:
Base-Base interactions energy: -177.622
where: short stacking energy: -70.415
Base-Backbone interact. energy: -0.396
local terms energy: -78.993073
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -19.032
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: 397
Temperature: 0.950000
Total energy: -256.680773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.680773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.680773 (E_RNA)
where:
Base-Base interactions energy: -170.730
where: short stacking energy: -74.774
Base-Backbone interact. energy: 1.153
local terms energy: -87.103565
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -20.753
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: 397
Temperature: 1.000000
Total energy: -211.189189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.189189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.189189 (E_RNA)
where:
Base-Base interactions energy: -135.181
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.642
local terms energy: -75.366334
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -13.714
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -212.208131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.208131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.208131 (E_RNA)
where:
Base-Base interactions energy: -130.672
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.075
local terms energy: -81.461710
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -18.463
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: 397
Temperature: 1.100000
Total energy: -203.512391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.512391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.512391 (E_RNA)
where:
Base-Base interactions energy: -124.415
where: short stacking energy: -56.006
Base-Backbone interact. energy: -0.238
local terms energy: -78.859640
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -198.947626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.947626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.947626 (E_RNA)
where:
Base-Base interactions energy: -123.444
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.218
local terms energy: -75.285440
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -153.901480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.901480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.901480 (E_RNA)
where:
Base-Base interactions energy: -99.200
where: short stacking energy: -36.109
Base-Backbone interact. energy: -0.508
local terms energy: -54.192553
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -99.366734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.366734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.366734 (E_RNA)
where:
Base-Base interactions energy: -41.311
where: short stacking energy: -37.282
Base-Backbone interact. energy: -0.277
local terms energy: -57.779165
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -106.108168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.108168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.108168 (E_RNA)
where:
Base-Base interactions energy: -51.732
where: short stacking energy: -24.067
Base-Backbone interact. energy: -0.523
local terms energy: -53.852889
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: 1.520
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: -83.037193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.037193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.037193 (E_RNA)
where:
Base-Base interactions energy: -29.444
where: short stacking energy: -27.272
Base-Backbone interact. energy: -0.372
local terms energy: -53.220767
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -257.287435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.287435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.287435 (E_RNA)
where:
Base-Base interactions energy: -171.919
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.304
local terms energy: -85.064139
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -242.259950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.259950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.259950 (E_RNA)
where:
Base-Base interactions energy: -168.575
where: short stacking energy: -70.493
Base-Backbone interact. energy: 0.605
local terms energy: -74.289263
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -218.401493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.401493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.401493 (E_RNA)
where:
Base-Base interactions energy: -139.402
where: short stacking energy: -60.849
Base-Backbone interact. energy: -0.054
local terms energy: -78.945318
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -208.179702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.179702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.179702 (E_RNA)
where:
Base-Base interactions energy: -135.263
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.150
local terms energy: -72.766962
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -205.391970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.391970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.391970 (E_RNA)
where:
Base-Base interactions energy: -131.229
where: short stacking energy: -61.334
Base-Backbone interact. energy: -0.021
local terms energy: -74.141321
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -23.201
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: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -197.820256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.820256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.820256 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -59.611
Base-Backbone interact. energy: -0.087
local terms energy: -78.976577
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -168.025550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.025550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.025550 (E_RNA)
where:
Base-Base interactions energy: -100.334
where: short stacking energy: -48.400
Base-Backbone interact. energy: -0.251
local terms energy: -67.440093
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -14.974
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: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -118.215933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.215933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.215933 (E_RNA)
where:
Base-Base interactions energy: -51.667
where: short stacking energy: -38.838
Base-Backbone interact. energy: 1.048
local terms energy: -67.596803
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -6.744
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: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -107.525586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.525586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.525586 (E_RNA)
where:
Base-Base interactions energy: -60.664
where: short stacking energy: -23.177
Base-Backbone interact. energy: 0.596
local terms energy: -47.457481
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: 3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -80.179641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.179641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.179641 (E_RNA)
where:
Base-Base interactions energy: -24.901
where: short stacking energy: -22.206
Base-Backbone interact. energy: 0.940
local terms energy: -56.218265
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: 1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -263.370388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.370388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.370388 (E_RNA)
where:
Base-Base interactions energy: -174.150
where: short stacking energy: -71.596
Base-Backbone interact. energy: -0.278
local terms energy: -88.942592
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -239.084511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.084511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.084511 (E_RNA)
where:
Base-Base interactions energy: -164.826
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.186
local terms energy: -74.072447
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -16.695
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: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -236.200554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.200554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.200554 (E_RNA)
where:
Base-Base interactions energy: -153.973
where: short stacking energy: -74.952
Base-Backbone interact. energy: 0.581
local terms energy: -82.809298
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -17.661
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: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -216.428777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.428777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.428777 (E_RNA)
where:
Base-Base interactions energy: -133.642
where: short stacking energy: -63.861
Base-Backbone interact. energy: -0.189
local terms energy: -82.597905
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -202.514534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.514534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.514534 (E_RNA)
where:
Base-Base interactions energy: -134.913
where: short stacking energy: -53.277
Base-Backbone interact. energy: -0.217
local terms energy: -67.385196
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -186.943166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.943166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.943166 (E_RNA)
where:
Base-Base interactions energy: -111.136
where: short stacking energy: -48.317
Base-Backbone interact. energy: -0.186
local terms energy: -75.620705
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -13.682
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: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -179.960700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.960700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.960700 (E_RNA)
where:
Base-Base interactions energy: -114.604
where: short stacking energy: -58.155
Base-Backbone interact. energy: 0.003
local terms energy: -65.360004
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -93.945655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.945655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.945655 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -24.626
Base-Backbone interact. energy: -0.203
local terms energy: -62.834440
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -87.643165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643165 (E_RNA)
where:
Base-Base interactions energy: -31.579
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.138
local terms energy: -55.926868
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -8.466
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -79.891284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.891284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.891284 (E_RNA)
where:
Base-Base interactions energy: -29.422
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.400
local terms energy: -50.069100
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -257.655804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.655804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.655804 (E_RNA)
where:
Base-Base interactions energy: -171.309
where: short stacking energy: -76.176
Base-Backbone interact. energy: 1.477
local terms energy: -87.823255
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -21.549
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: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -253.529114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.529114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.529114 (E_RNA)
where:
Base-Base interactions energy: -175.095
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.372
local terms energy: -78.062555
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -233.812434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.812434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.812434 (E_RNA)
where:
Base-Base interactions energy: -157.701
where: short stacking energy: -51.516
Base-Backbone interact. energy: -0.339
local terms energy: -75.772410
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -206.354541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.354541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.354541 (E_RNA)
where:
Base-Base interactions energy: -135.347
where: short stacking energy: -52.567
Base-Backbone interact. energy: -0.331
local terms energy: -70.676170
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -12.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -193.086937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.086937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.086937 (E_RNA)
where:
Base-Base interactions energy: -134.972
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.600
local terms energy: -57.515544
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -184.874418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.874418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.874418 (E_RNA)
where:
Base-Base interactions energy: -116.487
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.146
local terms energy: -68.241467
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -194.563747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.563747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.563747 (E_RNA)
where:
Base-Base interactions energy: -119.778
where: short stacking energy: -62.906
Base-Backbone interact. energy: 0.113
local terms energy: -74.898638
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -96.826902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.826902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.826902 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.069
local terms energy: -60.402227
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -81.758681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.758681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.758681 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -30.981
Base-Backbone interact. energy: 0.450
local terms energy: -48.535595
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -1.718
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: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -84.089474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.089474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.089474 (E_RNA)
where:
Base-Base interactions energy: -28.422
where: short stacking energy: -28.422
Base-Backbone interact. energy: -0.829
local terms energy: -54.838630
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -0.391
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: 401
Temperature: 0.900000
Total energy: -260.040585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.040585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.040585 (E_RNA)
where:
Base-Base interactions energy: -177.097
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.512
local terms energy: -82.432276
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -20.315
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: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -255.592492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.592492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.592492 (E_RNA)
where:
Base-Base interactions energy: -178.379
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.476
local terms energy: -76.736956
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -227.592792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.592792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.592792 (E_RNA)
where:
Base-Base interactions energy: -150.126
where: short stacking energy: -64.543
Base-Backbone interact. energy: -1.178
local terms energy: -76.288937
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -197.294553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.294553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.294553 (E_RNA)
where:
Base-Base interactions energy: -128.496
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.340
local terms energy: -68.458841
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -10.642
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -192.037943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.037943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.037943 (E_RNA)
where:
Base-Base interactions energy: -123.984
where: short stacking energy: -50.529
Base-Backbone interact. energy: -0.358
local terms energy: -67.696191
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -12.196
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: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -190.327699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.327699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.327699 (E_RNA)
where:
Base-Base interactions energy: -108.602
where: short stacking energy: -54.610
Base-Backbone interact. energy: -0.144
local terms energy: -81.582485
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -163.189083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.189083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.189083 (E_RNA)
where:
Base-Base interactions energy: -95.539
where: short stacking energy: -44.150
Base-Backbone interact. energy: -0.033
local terms energy: -67.617131
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -7.509
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: 401
Temperature: 1.250000
Total energy: -89.101790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.101790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.101790 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -33.035
Base-Backbone interact. energy: -0.431
local terms energy: -49.523783
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -8.395
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -98.289926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.289926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.289926 (E_RNA)
where:
Base-Base interactions energy: -42.545
where: short stacking energy: -26.385
Base-Backbone interact. energy: -0.375
local terms energy: -55.369930
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -80.500874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.500874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.500874 (E_RNA)
where:
Base-Base interactions energy: -25.162
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.649
local terms energy: -54.690458
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -253.746464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.746464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.746464 (E_RNA)
where:
Base-Base interactions energy: -169.960
where: short stacking energy: -76.499
Base-Backbone interact. energy: -0.216
local terms energy: -83.571202
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.407
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -256.239894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.239894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.239894 (E_RNA)
where:
Base-Base interactions energy: -170.155
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.011
local terms energy: -86.074258
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -225.861058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.861058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.861058 (E_RNA)
where:
Base-Base interactions energy: -150.911
where: short stacking energy: -61.235
Base-Backbone interact. energy: -1.076
local terms energy: -73.874368
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -210.321457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.321457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.321457 (E_RNA)
where:
Base-Base interactions energy: -129.831
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.012
local terms energy: -80.478250
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -163.994278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.994278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.994278 (E_RNA)
where:
Base-Base interactions energy: -102.949
where: short stacking energy: -43.991
Base-Backbone interact. energy: -0.146
local terms energy: -60.899496
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -179.199643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.199643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.199643 (E_RNA)
where:
Base-Base interactions energy: -101.828
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.349
local terms energy: -77.022294
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -113.062475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.062475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.062475 (E_RNA)
where:
Base-Base interactions energy: -45.969
where: short stacking energy: -45.969
Base-Backbone interact. energy: -0.001
local terms energy: -67.092978
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -9.741
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: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -165.817875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.817875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.817875 (E_RNA)
where:
Base-Base interactions energy: -105.067
where: short stacking energy: -52.618
Base-Backbone interact. energy: 1.703
local terms energy: -62.453429
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -92.984183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.984183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.984183 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -30.156
Base-Backbone interact. energy: 0.383
local terms energy: -63.210886
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -94.000470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000470 (E_RNA)
where:
Base-Base interactions energy: -44.297
where: short stacking energy: -35.687
Base-Backbone interact. energy: -0.456
local terms energy: -49.246651
where:
bonds (distance) C4'-P energy: -6.448
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -0.206
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: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -263.378599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.378599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.378599 (E_RNA)
where:
Base-Base interactions energy: -180.956
where: short stacking energy: -74.614
Base-Backbone interact. energy: -0.482
local terms energy: -81.940215
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -250.283980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.283980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.283980 (E_RNA)
where:
Base-Base interactions energy: -166.303
where: short stacking energy: -66.626
Base-Backbone interact. energy: 0.366
local terms energy: -84.347039
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -226.006327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.006327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.006327 (E_RNA)
where:
Base-Base interactions energy: -145.238
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.473
local terms energy: -80.294528
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -200.755301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.755301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.755301 (E_RNA)
where:
Base-Base interactions energy: -136.506
where: short stacking energy: -67.646
Base-Backbone interact. energy: 1.885
local terms energy: -66.134877
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -17.710
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: 403
Temperature: 1.100000
Total energy: -163.138105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.138105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.138105 (E_RNA)
where:
Base-Base interactions energy: -89.388
where: short stacking energy: -48.922
Base-Backbone interact. energy: -0.815
local terms energy: -72.935794
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -185.377308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.377308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.377308 (E_RNA)
where:
Base-Base interactions energy: -121.117
where: short stacking energy: -55.577
Base-Backbone interact. energy: -0.882
local terms energy: -63.377902
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -13.606
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: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -93.011303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.011303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.011303 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -21.736
Base-Backbone interact. energy: -0.133
local terms energy: -58.533140
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: 3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -182.158589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.158589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.158589 (E_RNA)
where:
Base-Base interactions energy: -128.413
where: short stacking energy: -57.123
Base-Backbone interact. energy: 1.478
local terms energy: -55.223695
where:
bonds (distance) C4'-P energy: -4.766
bonds (distance) P-C4' energy: -8.699
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -16.412
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: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -80.373934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.373934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.373934 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.365
local terms energy: -51.009463
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: 1.714
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: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -86.268462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.268462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.268462 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.205
local terms energy: -55.719884
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -6.971
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -251.523816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.523816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.523816 (E_RNA)
where:
Base-Base interactions energy: -167.490
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.508
local terms energy: -83.525315
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -251.833866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.833866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.833866 (E_RNA)
where:
Base-Base interactions energy: -168.697
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.290
local terms energy: -82.846777
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -232.079985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.079985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.079985 (E_RNA)
where:
Base-Base interactions energy: -142.237
where: short stacking energy: -66.185
Base-Backbone interact. energy: -0.049
local terms energy: -89.793872
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -211.411542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.411542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.411542 (E_RNA)
where:
Base-Base interactions energy: -132.712
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.085
local terms energy: -78.615109
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -19.761
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: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -198.425498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.425498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.425498 (E_RNA)
where:
Base-Base interactions energy: -121.721
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.000
local terms energy: -76.704289
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -172.387528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.387528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.387528 (E_RNA)
where:
Base-Base interactions energy: -105.898
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.101
local terms energy: -66.388929
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -163.424576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.424576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.424576 (E_RNA)
where:
Base-Base interactions energy: -95.199
where: short stacking energy: -38.204
Base-Backbone interact. energy: 0.502
local terms energy: -68.727740
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -105.812588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.812588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.812588 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -21.639
Base-Backbone interact. energy: -0.933
local terms energy: -64.351269
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -93.293196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.293196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.293196 (E_RNA)
where:
Base-Base interactions energy: -38.653
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.319
local terms energy: -54.320546
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -82.043208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.043208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.043208 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.155
local terms energy: -50.958113
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -263.240941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.240941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.240941 (E_RNA)
where:
Base-Base interactions energy: -170.739
where: short stacking energy: -70.654
Base-Backbone interact. energy: 0.899
local terms energy: -93.400337
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -230.302466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.302466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.302466 (E_RNA)
where:
Base-Base interactions energy: -145.517
where: short stacking energy: -71.895
Base-Backbone interact. energy: -0.248
local terms energy: -84.537878
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -243.392665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.392665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.392665 (E_RNA)
where:
Base-Base interactions energy: -167.428
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.544
local terms energy: -75.420028
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -203.693560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.693560 (E_RNA)
where:
Base-Base interactions energy: -125.503
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.964
local terms energy: -77.226380
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -185.560588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.560588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.560588 (E_RNA)
where:
Base-Base interactions energy: -127.258
where: short stacking energy: -51.370
Base-Backbone interact. energy: -1.064
local terms energy: -57.238163
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -6.857
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -164.595791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.595791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.595791 (E_RNA)
where:
Base-Base interactions energy: -94.209
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.730
local terms energy: -69.657286
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -182.861946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.861946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.861946 (E_RNA)
where:
Base-Base interactions energy: -115.128
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.063
local terms energy: -67.670971
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -101.199972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.199972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.199972 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -25.840
Base-Backbone interact. energy: -0.193
local terms energy: -57.979241
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -2.977
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: 405
Temperature: 1.300000
Total energy: -102.946973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.946973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.946973 (E_RNA)
where:
Base-Base interactions energy: -41.896
where: short stacking energy: -40.172
Base-Backbone interact. energy: -0.044
local terms energy: -61.006808
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -79.127474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.127474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.127474 (E_RNA)
where:
Base-Base interactions energy: -24.907
where: short stacking energy: -24.907
Base-Backbone interact. energy: -0.443
local terms energy: -53.777830
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -266.771730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.771730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.771730 (E_RNA)
where:
Base-Base interactions energy: -181.580
where: short stacking energy: -70.441
Base-Backbone interact. energy: -0.422
local terms energy: -84.769428
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -230.982132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.982132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.982132 (E_RNA)
where:
Base-Base interactions energy: -149.802
where: short stacking energy: -72.556
Base-Backbone interact. energy: -0.105
local terms energy: -81.075760
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -223.532021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.532021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.532021 (E_RNA)
where:
Base-Base interactions energy: -141.921
where: short stacking energy: -73.374
Base-Backbone interact. energy: 0.097
local terms energy: -81.708524
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -17.189
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: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -241.186745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.186745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.186745 (E_RNA)
where:
Base-Base interactions energy: -163.613
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.121
local terms energy: -77.452539
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -163.350996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.350996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.350996 (E_RNA)
where:
Base-Base interactions energy: -91.406
where: short stacking energy: -52.571
Base-Backbone interact. energy: -0.212
local terms energy: -71.733882
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -164.471394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.471394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.471394 (E_RNA)
where:
Base-Base interactions energy: -99.389
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.070
local terms energy: -65.012897
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -10.840
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -175.250237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.250237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.250237 (E_RNA)
where:
Base-Base interactions energy: -109.674
where: short stacking energy: -51.057
Base-Backbone interact. energy: -0.570
local terms energy: -65.006520
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -99.839925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.839925 (E_RNA)
where:
Base-Base interactions energy: -37.528
where: short stacking energy: -34.538
Base-Backbone interact. energy: -0.255
local terms energy: -62.057286
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -86.290616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290616 (E_RNA)
where:
Base-Base interactions energy: -40.047
where: short stacking energy: -19.430
Base-Backbone interact. energy: -0.739
local terms energy: -45.504333
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -8.568
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: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -85.439185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439185 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -30.570
Base-Backbone interact. energy: -0.252
local terms energy: -51.626509
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -6.984
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -267.276176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.276176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.276176 (E_RNA)
where:
Base-Base interactions energy: -186.672
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.130
local terms energy: -80.473857
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -18.208
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: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -234.629017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.629017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.629017 (E_RNA)
where:
Base-Base interactions energy: -158.128
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.420
local terms energy: -76.081310
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -18.014
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: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -218.677705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.677705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.677705 (E_RNA)
where:
Base-Base interactions energy: -143.161
where: short stacking energy: -66.591
Base-Backbone interact. energy: -0.175
local terms energy: -75.341802
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -14.249
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: 407
Temperature: 1.050000
Total energy: -246.224666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.224666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.224666 (E_RNA)
where:
Base-Base interactions energy: -166.069
where: short stacking energy: -67.072
Base-Backbone interact. energy: 0.008
local terms energy: -80.163538
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -183.367887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.367887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.367887 (E_RNA)
where:
Base-Base interactions energy: -114.706
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.151
local terms energy: -68.510683
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -210.409072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.409072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.409072 (E_RNA)
where:
Base-Base interactions energy: -138.150
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.677
local terms energy: -71.582511
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -158.806335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.806335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.806335 (E_RNA)
where:
Base-Base interactions energy: -94.704
where: short stacking energy: -52.325
Base-Backbone interact. energy: -0.203
local terms energy: -63.898916
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -8.353
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -104.377916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.377916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.377916 (E_RNA)
where:
Base-Base interactions energy: -41.682
where: short stacking energy: -39.205
Base-Backbone interact. energy: -0.216
local terms energy: -62.480245
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -89.498037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.498037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.498037 (E_RNA)
where:
Base-Base interactions energy: -33.089
where: short stacking energy: -33.089
Base-Backbone interact. energy: 2.384
local terms energy: -58.792946
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -2.955
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: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -88.826897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.826897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.826897 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -30.829
Base-Backbone interact. energy: -0.135
local terms energy: -57.862826
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -258.491051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.491051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.491051 (E_RNA)
where:
Base-Base interactions energy: -175.373
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.615
local terms energy: -82.502355
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -19.121
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: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -238.550358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.550358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.550358 (E_RNA)
where:
Base-Base interactions energy: -151.593
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.624
local terms energy: -86.333663
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -239.904588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.904588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.904588 (E_RNA)
where:
Base-Base interactions energy: -160.619
where: short stacking energy: -67.991
Base-Backbone interact. energy: 0.004
local terms energy: -79.289524
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -218.927978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.927978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.927978 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.031
local terms energy: -79.083659
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -209.645453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.645453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.645453 (E_RNA)
where:
Base-Base interactions energy: -136.878
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.016
local terms energy: -72.751886
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -200.196814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.196814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.196814 (E_RNA)
where:
Base-Base interactions energy: -126.253
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.166
local terms energy: -73.777910
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -153.059950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.059950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.059950 (E_RNA)
where:
Base-Base interactions energy: -87.066
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.535
local terms energy: -65.458063
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -7.579
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: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -128.338250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.338250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.338250 (E_RNA)
where:
Base-Base interactions energy: -69.442
where: short stacking energy: -40.549
Base-Backbone interact. energy: -0.180
local terms energy: -58.716182
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -87.904723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904723 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -33.547
Base-Backbone interact. energy: -0.179
local terms energy: -52.676156
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -88.475793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.475793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.475793 (E_RNA)
where:
Base-Base interactions energy: -32.739
where: short stacking energy: -28.606
Base-Backbone interact. energy: 2.630
local terms energy: -58.366859
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.464
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: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -260.480652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.480652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.480652 (E_RNA)
where:
Base-Base interactions energy: -178.803
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.288
local terms energy: -81.390306
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -255.895887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.895887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.895887 (E_RNA)
where:
Base-Base interactions energy: -174.343
where: short stacking energy: -77.627
Base-Backbone interact. energy: -0.063
local terms energy: -81.489529
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -19.645
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: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -241.334266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.334266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.334266 (E_RNA)
where:
Base-Base interactions energy: -160.366
where: short stacking energy: -73.253
Base-Backbone interact. energy: -0.173
local terms energy: -80.795398
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -208.143606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.143606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.143606 (E_RNA)
where:
Base-Base interactions energy: -132.007
where: short stacking energy: -59.801
Base-Backbone interact. energy: 0.052
local terms energy: -76.188511
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -213.852107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852107 (E_RNA)
where:
Base-Base interactions energy: -139.325
where: short stacking energy: -54.621
Base-Backbone interact. energy: -0.292
local terms energy: -74.235839
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -171.949508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.949508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.949508 (E_RNA)
where:
Base-Base interactions energy: -111.579
where: short stacking energy: -42.663
Base-Backbone interact. energy: -0.528
local terms energy: -59.843144
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -167.243362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.243362 (E_RNA)
where:
Base-Base interactions energy: -91.065
where: short stacking energy: -45.006
Base-Backbone interact. energy: -1.265
local terms energy: -74.913578
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -91.533466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.533466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.533466 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.352
local terms energy: -52.146800
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -6.997
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: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -119.560962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.560962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.560962 (E_RNA)
where:
Base-Base interactions energy: -62.395
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.176
local terms energy: -56.990634
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -94.241701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.241701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.241701 (E_RNA)
where:
Base-Base interactions energy: -45.102
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.209
local terms energy: -48.930190
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: 4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -260.779472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.779472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.779472 (E_RNA)
where:
Base-Base interactions energy: -177.571
where: short stacking energy: -71.382
Base-Backbone interact. energy: -0.219
local terms energy: -82.990113
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -255.098099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.098099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.098099 (E_RNA)
where:
Base-Base interactions energy: -171.748
where: short stacking energy: -67.287
Base-Backbone interact. energy: 0.427
local terms energy: -83.777096
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -236.420265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.420265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.420265 (E_RNA)
where:
Base-Base interactions energy: -152.142
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.027
local terms energy: -84.251585
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -235.130104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.130104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.130104 (E_RNA)
where:
Base-Base interactions energy: -150.637
where: short stacking energy: -67.605
Base-Backbone interact. energy: -0.171
local terms energy: -84.322455
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -19.909
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -209.522687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.522687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.522687 (E_RNA)
where:
Base-Base interactions energy: -136.516
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.022
local terms energy: -72.983739
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -20.902
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: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -163.837197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.837197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.837197 (E_RNA)
where:
Base-Base interactions energy: -86.949
where: short stacking energy: -50.920
Base-Backbone interact. energy: -0.788
local terms energy: -76.099782
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -15.801
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: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -192.454965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.454965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.454965 (E_RNA)
where:
Base-Base interactions energy: -113.870
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.212
local terms energy: -78.373396
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -14.054
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -92.967722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.967722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.967722 (E_RNA)
where:
Base-Base interactions energy: -34.078
where: short stacking energy: -28.392
Base-Backbone interact. energy: -2.607
local terms energy: -56.282565
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -1.444
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: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -88.276795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.276795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.276795 (E_RNA)
where:
Base-Base interactions energy: -31.667
where: short stacking energy: -21.658
Base-Backbone interact. energy: 0.354
local terms energy: -56.964273
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -92.414264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.414264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.414264 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -16.350
Base-Backbone interact. energy: -0.369
local terms energy: -54.537455
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -4.689
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: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -260.632673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.632673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.632673 (E_RNA)
where:
Base-Base interactions energy: -176.871
where: short stacking energy: -73.867
Base-Backbone interact. energy: -0.025
local terms energy: -83.736444
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -264.962942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.962942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.962942 (E_RNA)
where:
Base-Base interactions energy: -186.560
where: short stacking energy: -67.476
Base-Backbone interact. energy: 1.632
local terms energy: -80.034882
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -19.429
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: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -209.813410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.813410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.813410 (E_RNA)
where:
Base-Base interactions energy: -146.053
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.517
local terms energy: -63.243440
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -214.920006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.920006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.920006 (E_RNA)
where:
Base-Base interactions energy: -135.432
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.049
local terms energy: -79.439602
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -197.747358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.747358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.747358 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.032
local terms energy: -78.546944
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -202.746895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.746895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.746895 (E_RNA)
where:
Base-Base interactions energy: -130.123
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.232
local terms energy: -72.391733
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -159.918228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.918228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.918228 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -48.311
Base-Backbone interact. energy: -0.156
local terms energy: -65.214293
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -85.739325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.739325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.739325 (E_RNA)
where:
Base-Base interactions energy: -41.142
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.155
local terms energy: -44.442335
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -2.008
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -85.346609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346609 (E_RNA)
where:
Base-Base interactions energy: -32.165
where: short stacking energy: -32.165
Base-Backbone interact. energy: 0.479
local terms energy: -53.660668
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -94.102458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.102458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.102458 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -38.522
Base-Backbone interact. energy: -0.005
local terms energy: -55.008265
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -5.705
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: 412
Temperature: 0.900000
Total energy: -261.805482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.805482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.805482 (E_RNA)
where:
Base-Base interactions energy: -178.577
where: short stacking energy: -72.838
Base-Backbone interact. energy: -0.362
local terms energy: -82.866534
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -250.838173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.838173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.838173 (E_RNA)
where:
Base-Base interactions energy: -172.600
where: short stacking energy: -77.959
Base-Backbone interact. energy: -0.385
local terms energy: -77.852815
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -224.314317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.314317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.314317 (E_RNA)
where:
Base-Base interactions energy: -145.332
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.630
local terms energy: -78.352840
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -195.606350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.606350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.606350 (E_RNA)
where:
Base-Base interactions energy: -125.540
where: short stacking energy: -46.029
Base-Backbone interact. energy: -0.033
local terms energy: -70.032883
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -181.371848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.371848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.371848 (E_RNA)
where:
Base-Base interactions energy: -102.895
where: short stacking energy: -51.838
Base-Backbone interact. energy: -0.247
local terms energy: -78.229974
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -164.118091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.118091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.118091 (E_RNA)
where:
Base-Base interactions energy: -104.269
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.171
local terms energy: -59.678050
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -9.500
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: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -157.470658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.470658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.470658 (E_RNA)
where:
Base-Base interactions energy: -103.454
where: short stacking energy: -45.117
Base-Backbone interact. energy: -0.297
local terms energy: -53.719290
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.628
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: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -98.650369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.650369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.650369 (E_RNA)
where:
Base-Base interactions energy: -50.430
where: short stacking energy: -30.503
Base-Backbone interact. energy: 0.220
local terms energy: -48.439946
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -89.594377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.594377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.594377 (E_RNA)
where:
Base-Base interactions energy: -24.540
where: short stacking energy: -24.540
Base-Backbone interact. energy: -0.151
local terms energy: -64.902807
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -84.571823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.571823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.571823 (E_RNA)
where:
Base-Base interactions energy: -29.052
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.063
local terms energy: -55.457330
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -5.877
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: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -259.989634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.989634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.989634 (E_RNA)
where:
Base-Base interactions energy: -182.161
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.364
local terms energy: -77.464192
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -256.291841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.291841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.291841 (E_RNA)
where:
Base-Base interactions energy: -177.878
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.245
local terms energy: -78.169230
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -213.392226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.392226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.392226 (E_RNA)
where:
Base-Base interactions energy: -137.520
where: short stacking energy: -53.772
Base-Backbone interact. energy: -0.138
local terms energy: -75.733871
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -7.982
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: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -211.846396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846396 (E_RNA)
where:
Base-Base interactions energy: -131.261
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.081
local terms energy: -80.504526
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -15.767
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: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -189.679908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.679908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.679908 (E_RNA)
where:
Base-Base interactions energy: -123.403
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.024
local terms energy: -66.253451
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -12.193
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: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -180.898210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.898210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.898210 (E_RNA)
where:
Base-Base interactions energy: -120.214
where: short stacking energy: -42.571
Base-Backbone interact. energy: 1.823
local terms energy: -62.506493
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -152.681001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.681001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.681001 (E_RNA)
where:
Base-Base interactions energy: -91.172
where: short stacking energy: -46.688
Base-Backbone interact. energy: -0.359
local terms energy: -61.149352
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -10.382
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -92.337534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.337534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.337534 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -25.173
Base-Backbone interact. energy: -0.001
local terms energy: -52.363665
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -88.153160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.153160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.153160 (E_RNA)
where:
Base-Base interactions energy: -46.881
where: short stacking energy: -26.118
Base-Backbone interact. energy: -0.573
local terms energy: -40.699524
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: 1.796
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: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -85.606854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.606854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.606854 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -25.655
Base-Backbone interact. energy: -0.455
local terms energy: -54.023164
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -15.768
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: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -257.075414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.075414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.075414 (E_RNA)
where:
Base-Base interactions energy: -175.772
where: short stacking energy: -72.923
Base-Backbone interact. energy: -0.359
local terms energy: -80.944549
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -247.852162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.852162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.852162 (E_RNA)
where:
Base-Base interactions energy: -172.171
where: short stacking energy: -66.934
Base-Backbone interact. energy: -0.412
local terms energy: -75.268954
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -226.292757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.292757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.292757 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -66.755
Base-Backbone interact. energy: -0.295
local terms energy: -78.367119
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -219.483375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.483375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.483375 (E_RNA)
where:
Base-Base interactions energy: -137.070
where: short stacking energy: -70.276
Base-Backbone interact. energy: -0.807
local terms energy: -81.606043
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -175.189827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.189827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.189827 (E_RNA)
where:
Base-Base interactions energy: -111.704
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.875
local terms energy: -62.610435
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -183.861005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.861005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.861005 (E_RNA)
where:
Base-Base interactions energy: -112.128
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.230
local terms energy: -71.502794
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -164.743419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.743419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.743419 (E_RNA)
where:
Base-Base interactions energy: -106.564
where: short stacking energy: -42.267
Base-Backbone interact. energy: -0.771
local terms energy: -57.408251
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -90.370400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.370400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.370400 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -27.346
Base-Backbone interact. energy: -0.534
local terms energy: -57.307962
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -4.665
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: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -82.625376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.625376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.625376 (E_RNA)
where:
Base-Base interactions energy: -26.439
where: short stacking energy: -25.204
Base-Backbone interact. energy: 1.177
local terms energy: -57.362774
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -2.108
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: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -78.433238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.433238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.433238 (E_RNA)
where:
Base-Base interactions energy: -24.960
where: short stacking energy: -24.960
Base-Backbone interact. energy: -0.029
local terms energy: -53.444034
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: 0.644
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: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -244.341753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.341753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.341753 (E_RNA)
where:
Base-Base interactions energy: -160.673
where: short stacking energy: -72.086
Base-Backbone interact. energy: -0.279
local terms energy: -83.388939
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -253.702423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.702423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.702423 (E_RNA)
where:
Base-Base interactions energy: -181.550
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.024
local terms energy: -72.128434
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -17.606
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: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -224.624427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.624427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.624427 (E_RNA)
where:
Base-Base interactions energy: -138.640
where: short stacking energy: -71.370
Base-Backbone interact. energy: -0.098
local terms energy: -85.886731
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -226.309854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.309854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.309854 (E_RNA)
where:
Base-Base interactions energy: -139.960
where: short stacking energy: -61.210
Base-Backbone interact. energy: -0.620
local terms energy: -85.729637
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -199.191399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.191399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.191399 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.092
local terms energy: -75.110158
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -14.114
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: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -176.320627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.320627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.320627 (E_RNA)
where:
Base-Base interactions energy: -119.308
where: short stacking energy: -40.917
Base-Backbone interact. energy: -1.290
local terms energy: -55.723343
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -158.011134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.011134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.011134 (E_RNA)
where:
Base-Base interactions energy: -100.163
where: short stacking energy: -32.279
Base-Backbone interact. energy: 0.923
local terms energy: -58.770832
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -114.697105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.697105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.697105 (E_RNA)
where:
Base-Base interactions energy: -61.195
where: short stacking energy: -52.095
Base-Backbone interact. energy: 0.632
local terms energy: -54.134746
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -85.729301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.729301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.729301 (E_RNA)
where:
Base-Base interactions energy: -31.180
where: short stacking energy: -26.131
Base-Backbone interact. energy: -0.494
local terms energy: -54.055334
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -2.854
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: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -85.430437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.430437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.430437 (E_RNA)
where:
Base-Base interactions energy: -45.445
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.343
local terms energy: -39.643076
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: 1.705
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: 416
Temperature: 0.900000
Total energy: -263.730829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.730829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.730829 (E_RNA)
where:
Base-Base interactions energy: -183.617
where: short stacking energy: -71.061
Base-Backbone interact. energy: 1.968
local terms energy: -82.082491
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -246.087804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.087804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.087804 (E_RNA)
where:
Base-Base interactions energy: -165.211
where: short stacking energy: -69.996
Base-Backbone interact. energy: -0.117
local terms energy: -80.760398
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -18.416
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: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -219.941200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.941200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.941200 (E_RNA)
where:
Base-Base interactions energy: -141.984
where: short stacking energy: -71.863
Base-Backbone interact. energy: -0.740
local terms energy: -77.217223
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -219.667436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.667436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.667436 (E_RNA)
where:
Base-Base interactions energy: -136.649
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.092
local terms energy: -82.926261
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -15.838
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: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -211.882994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.882994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.882994 (E_RNA)
where:
Base-Base interactions energy: -131.591
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.043
local terms energy: -80.248899
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -166.195649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.195649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.195649 (E_RNA)
where:
Base-Base interactions energy: -99.936
where: short stacking energy: -49.678
Base-Backbone interact. energy: -0.633
local terms energy: -65.626854
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -161.303789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.303789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.303789 (E_RNA)
where:
Base-Base interactions energy: -97.854
where: short stacking energy: -48.644
Base-Backbone interact. energy: 0.028
local terms energy: -63.477418
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -100.629250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.629250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.629250 (E_RNA)
where:
Base-Base interactions energy: -40.259
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.196
local terms energy: -60.174893
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -85.012416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.012416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.012416 (E_RNA)
where:
Base-Base interactions energy: -30.718
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.143
local terms energy: -54.152069
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -90.823579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823579 (E_RNA)
where:
Base-Base interactions energy: -31.563
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.001
local terms energy: -59.259002
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -262.012516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.012516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.012516 (E_RNA)
where:
Base-Base interactions energy: -176.242
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.055
local terms energy: -85.715875
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -18.147
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: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -254.643865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.643865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.643865 (E_RNA)
where:
Base-Base interactions energy: -172.086
where: short stacking energy: -77.027
Base-Backbone interact. energy: -0.229
local terms energy: -82.328514
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -223.575631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.575631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.575631 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -78.308
Base-Backbone interact. energy: 0.599
local terms energy: -85.716569
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -23.389
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: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -212.637059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.637059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.637059 (E_RNA)
where:
Base-Base interactions energy: -143.543
where: short stacking energy: -63.343
Base-Backbone interact. energy: -0.234
local terms energy: -68.860007
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -12.262
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: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -206.486810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486810 (E_RNA)
where:
Base-Base interactions energy: -131.675
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.577
local terms energy: -74.234056
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -188.628470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.628470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.628470 (E_RNA)
where:
Base-Base interactions energy: -108.951
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.080
local terms energy: -79.597716
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -159.058800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.058800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.058800 (E_RNA)
where:
Base-Base interactions energy: -99.201
where: short stacking energy: -46.980
Base-Backbone interact. energy: 0.249
local terms energy: -60.106154
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -9.565
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: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -99.461125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.461125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.461125 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -36.902
Base-Backbone interact. energy: -0.065
local terms energy: -62.493887
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -8.082
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: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -89.520487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.520487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.520487 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -27.615
Base-Backbone interact. energy: -1.177
local terms energy: -51.983529
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.751
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: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -77.094725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.094725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.094725 (E_RNA)
where:
Base-Base interactions energy: -30.672
where: short stacking energy: -15.675
Base-Backbone interact. energy: -0.408
local terms energy: -46.015067
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: 5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -255.478553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.478553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.478553 (E_RNA)
where:
Base-Base interactions energy: -169.659
where: short stacking energy: -68.867
Base-Backbone interact. energy: -0.748
local terms energy: -85.070882
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -243.672804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.672804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.672804 (E_RNA)
where:
Base-Base interactions energy: -171.303
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.742
local terms energy: -71.628006
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -231.301862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.301862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.301862 (E_RNA)
where:
Base-Base interactions energy: -145.295
where: short stacking energy: -65.308
Base-Backbone interact. energy: -0.055
local terms energy: -85.951871
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -20.463
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: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -218.104005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.104005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.104005 (E_RNA)
where:
Base-Base interactions energy: -133.799
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.408
local terms energy: -83.897699
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -24.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -212.223411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.223411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.223411 (E_RNA)
where:
Base-Base interactions energy: -134.401
where: short stacking energy: -58.625
Base-Backbone interact. energy: -1.054
local terms energy: -76.767468
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -18.628
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: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -206.644461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.644461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.644461 (E_RNA)
where:
Base-Base interactions energy: -123.864
where: short stacking energy: -61.557
Base-Backbone interact. energy: 0.014
local terms energy: -82.794840
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -146.837987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.837987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.837987 (E_RNA)
where:
Base-Base interactions energy: -88.383
where: short stacking energy: -45.196
Base-Backbone interact. energy: 0.015
local terms energy: -58.470081
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -81.836808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.836808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.836808 (E_RNA)
where:
Base-Base interactions energy: -24.882
where: short stacking energy: -24.730
Base-Backbone interact. energy: -0.893
local terms energy: -56.061916
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -80.970403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.970403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.970403 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -24.871
Base-Backbone interact. energy: -0.841
local terms energy: -44.058708
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -5.452
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: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -85.744675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744675 (E_RNA)
where:
Base-Base interactions energy: -29.473
where: short stacking energy: -28.801
Base-Backbone interact. energy: -0.207
local terms energy: -56.064679
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -263.315656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.315656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.315656 (E_RNA)
where:
Base-Base interactions energy: -177.991
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.149
local terms energy: -85.176167
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -21.863
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: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -252.674974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.674974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.674974 (E_RNA)
where:
Base-Base interactions energy: -175.941
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.213
local terms energy: -76.521309
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -220.320047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.320047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.320047 (E_RNA)
where:
Base-Base interactions energy: -140.408
where: short stacking energy: -64.307
Base-Backbone interact. energy: -1.095
local terms energy: -78.816557
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -206.749923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.749923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.749923 (E_RNA)
where:
Base-Base interactions energy: -124.774
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.273
local terms energy: -81.702451
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -197.629086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.629086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.629086 (E_RNA)
where:
Base-Base interactions energy: -123.106
where: short stacking energy: -62.984
Base-Backbone interact. energy: -0.025
local terms energy: -74.497772
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -178.931760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.931760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.931760 (E_RNA)
where:
Base-Base interactions energy: -101.753
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.538
local terms energy: -76.640926
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -14.233
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: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -112.254204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.254204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.254204 (E_RNA)
where:
Base-Base interactions energy: -54.591
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.260
local terms energy: -57.403932
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -1.106
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: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -94.921247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921247 (E_RNA)
where:
Base-Base interactions energy: -44.255
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.147
local terms energy: -50.519144
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -88.920471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.920471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.920471 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -22.972
Base-Backbone interact. energy: -0.206
local terms energy: -55.858169
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -90.627515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.627515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.627515 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -33.894
Base-Backbone interact. energy: -0.102
local terms energy: -54.932165
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -7.279
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: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -250.594861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.594861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.594861 (E_RNA)
where:
Base-Base interactions energy: -168.045
where: short stacking energy: -68.055
Base-Backbone interact. energy: -1.072
local terms energy: -81.478794
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -257.416889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.416889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.416889 (E_RNA)
where:
Base-Base interactions energy: -172.669
where: short stacking energy: -70.504
Base-Backbone interact. energy: 0.687
local terms energy: -85.434649
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -221.989585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.989585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.989585 (E_RNA)
where:
Base-Base interactions energy: -148.324
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.087
local terms energy: -73.578890
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -216.216328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.216328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.216328 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.348
local terms energy: -78.159453
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -197.449804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.449804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.449804 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -52.510
Base-Backbone interact. energy: 0.443
local terms energy: -72.425977
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -12.852
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: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -202.182672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.182672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.182672 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.318
local terms energy: -66.889994
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -105.504969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.504969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.504969 (E_RNA)
where:
Base-Base interactions energy: -61.285
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.682
local terms energy: -43.537432
where:
bonds (distance) C4'-P energy: -4.107
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -9.776
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: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -92.106128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.106128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.106128 (E_RNA)
where:
Base-Base interactions energy: -27.460
where: short stacking energy: -27.460
Base-Backbone interact. energy: 0.029
local terms energy: -64.674768
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -9.717
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: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -95.579763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.579763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.579763 (E_RNA)
where:
Base-Base interactions energy: -36.141
where: short stacking energy: -34.847
Base-Backbone interact. energy: -1.618
local terms energy: -57.821037
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -85.516521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.516521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.516521 (E_RNA)
where:
Base-Base interactions energy: -31.324
where: short stacking energy: -28.661
Base-Backbone interact. energy: 0.474
local terms energy: -54.665927
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -6.688
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: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -265.325684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.325684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.325684 (E_RNA)
where:
Base-Base interactions energy: -179.671
where: short stacking energy: -76.491
Base-Backbone interact. energy: 0.475
local terms energy: -86.129713
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -17.761
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -238.431187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.431187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.431187 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -81.533
Base-Backbone interact. energy: -0.017
local terms energy: -96.082645
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -27.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -238.162372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.162372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.162372 (E_RNA)
where:
Base-Base interactions energy: -160.595
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.478
local terms energy: -77.088865
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -20.308
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: 421
Temperature: 1.050000
Total energy: -218.847297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.847297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.847297 (E_RNA)
where:
Base-Base interactions energy: -145.351
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.010
local terms energy: -73.486003
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -18.223
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: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -192.082040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.082040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.082040 (E_RNA)
where:
Base-Base interactions energy: -118.787
where: short stacking energy: -51.291
Base-Backbone interact. energy: -0.264
local terms energy: -73.031841
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -180.318405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.318405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.318405 (E_RNA)
where:
Base-Base interactions energy: -118.083
where: short stacking energy: -54.167
Base-Backbone interact. energy: 0.773
local terms energy: -63.008829
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -130.888504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.888504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.888504 (E_RNA)
where:
Base-Base interactions energy: -68.792
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.468
local terms energy: -61.627916
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -85.921295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.921295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.921295 (E_RNA)
where:
Base-Base interactions energy: -28.964
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.227
local terms energy: -56.731083
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -0.681
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: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -105.012100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.012100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.012100 (E_RNA)
where:
Base-Base interactions energy: -54.599
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.326
local terms energy: -50.087143
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -82.702814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702814 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -25.005
Base-Backbone interact. energy: 0.649
local terms energy: -54.071846
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -2.214
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: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -242.352101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.352101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.352101 (E_RNA)
where:
Base-Base interactions energy: -149.069
where: short stacking energy: -82.719
Base-Backbone interact. energy: -0.000
local terms energy: -93.283296
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -26.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -249.336162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.336162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.336162 (E_RNA)
where:
Base-Base interactions energy: -164.915
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.733
local terms energy: -83.687807
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -218.273414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.273414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.273414 (E_RNA)
where:
Base-Base interactions energy: -139.790
where: short stacking energy: -65.908
Base-Backbone interact. energy: -2.464
local terms energy: -76.019406
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -23.082
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: 422
Temperature: 1.050000
Total energy: -241.012427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.012427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.012427 (E_RNA)
where:
Base-Base interactions energy: -166.926
where: short stacking energy: -58.953
Base-Backbone interact. energy: -0.479
local terms energy: -73.607467
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -188.213850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.213850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.213850 (E_RNA)
where:
Base-Base interactions energy: -128.641
where: short stacking energy: -65.911
Base-Backbone interact. energy: -0.043
local terms energy: -59.529965
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -17.975
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: 422
Temperature: 1.150000
Total energy: -178.266514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.266514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.266514 (E_RNA)
where:
Base-Base interactions energy: -105.061
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.100
local terms energy: -73.105796
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -112.842593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.842593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.842593 (E_RNA)
where:
Base-Base interactions energy: -49.872
where: short stacking energy: -38.397
Base-Backbone interact. energy: 0.415
local terms energy: -63.385435
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -105.822237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.822237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.822237 (E_RNA)
where:
Base-Base interactions energy: -43.417
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.096
local terms energy: -62.309614
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -11.454
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: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -86.272623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.272623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.272623 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -31.423
Base-Backbone interact. energy: -0.578
local terms energy: -52.626720
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -0.973
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: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -91.233020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.233020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.233020 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -27.471
Base-Backbone interact. energy: -0.420
local terms energy: -56.066831
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -240.047697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.047697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.047697 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -74.406
Base-Backbone interact. energy: -0.449
local terms energy: -93.161499
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -25.093
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: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -252.727088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.727088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.727088 (E_RNA)
where:
Base-Base interactions energy: -170.146
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.450
local terms energy: -82.131390
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -20.682
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: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -224.604437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.604437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.604437 (E_RNA)
where:
Base-Base interactions energy: -145.122
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.635
local terms energy: -78.847538
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -19.861
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: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -243.631320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.631320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.631320 (E_RNA)
where:
Base-Base interactions energy: -169.466
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.219
local terms energy: -73.946777
where:
bonds (distance) C4'-P energy: -6.188
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -173.696477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.696477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.696477 (E_RNA)
where:
Base-Base interactions energy: -103.695
where: short stacking energy: -48.265
Base-Backbone interact. energy: -0.134
local terms energy: -69.866691
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -161.304976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.304976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.304976 (E_RNA)
where:
Base-Base interactions energy: -95.172
where: short stacking energy: -44.570
Base-Backbone interact. energy: -0.101
local terms energy: -66.031399
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -96.359612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.359612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.359612 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -42.886
Base-Backbone interact. energy: -1.317
local terms energy: -50.363275
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -0.110
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -95.231494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.231494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.231494 (E_RNA)
where:
Base-Base interactions energy: -35.601
where: short stacking energy: -31.432
Base-Backbone interact. energy: -0.176
local terms energy: -59.455209
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.395336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.395336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.395336 (E_RNA)
where:
Base-Base interactions energy: -46.241
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.227
local terms energy: -38.926503
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: 3.223
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: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -90.706657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706657 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -29.470
Base-Backbone interact. energy: 0.201
local terms energy: -56.350358
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -10.080
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: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -250.560490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.560490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.560490 (E_RNA)
where:
Base-Base interactions energy: -168.255
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.063
local terms energy: -82.242493
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -231.249058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.249058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.249058 (E_RNA)
where:
Base-Base interactions energy: -148.524
where: short stacking energy: -69.550
Base-Backbone interact. energy: -0.009
local terms energy: -82.716717
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -240.698258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.698258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.698258 (E_RNA)
where:
Base-Base interactions energy: -157.954
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.661
local terms energy: -82.083573
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -22.326
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: 424
Temperature: 1.050000
Total energy: -201.418906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.418906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.418906 (E_RNA)
where:
Base-Base interactions energy: -127.427
where: short stacking energy: -67.761
Base-Backbone interact. energy: -0.122
local terms energy: -73.869873
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -183.335908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.335908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.335908 (E_RNA)
where:
Base-Base interactions energy: -106.278
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.674
local terms energy: -76.383878
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -151.810067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.810067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.810067 (E_RNA)
where:
Base-Base interactions energy: -91.437
where: short stacking energy: -38.337
Base-Backbone interact. energy: -1.163
local terms energy: -59.210198
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -98.213896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.213896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.213896 (E_RNA)
where:
Base-Base interactions energy: -37.090
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.110
local terms energy: -61.014079
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -2.516
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: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -99.277048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.277048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.277048 (E_RNA)
where:
Base-Base interactions energy: -40.575
where: short stacking energy: -26.232
Base-Backbone interact. energy: -0.382
local terms energy: -58.320261
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -84.867994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.867994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.867994 (E_RNA)
where:
Base-Base interactions energy: -32.674
where: short stacking energy: -21.803
Base-Backbone interact. energy: -1.612
local terms energy: -50.581616
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -8.474
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: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -86.377947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.377947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.377947 (E_RNA)
where:
Base-Base interactions energy: -32.244
where: short stacking energy: -26.441
Base-Backbone interact. energy: -0.363
local terms energy: -53.771046
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -251.198830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.198830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.198830 (E_RNA)
where:
Base-Base interactions energy: -165.097
where: short stacking energy: -76.610
Base-Backbone interact. energy: -1.099
local terms energy: -85.002325
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -232.394584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.394584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.394584 (E_RNA)
where:
Base-Base interactions energy: -153.847
where: short stacking energy: -71.653
Base-Backbone interact. energy: -0.120
local terms energy: -78.427807
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -244.439877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.439877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.439877 (E_RNA)
where:
Base-Base interactions energy: -160.501
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.337
local terms energy: -83.602286
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -203.122463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.122463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.122463 (E_RNA)
where:
Base-Base interactions energy: -126.007
where: short stacking energy: -59.268
Base-Backbone interact. energy: 0.427
local terms energy: -77.542880
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -191.586209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.586209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.586209 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -56.202
Base-Backbone interact. energy: -0.278
local terms energy: -73.141610
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -190.086472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.086472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.086472 (E_RNA)
where:
Base-Base interactions energy: -117.214
where: short stacking energy: -51.964
Base-Backbone interact. energy: -0.635
local terms energy: -72.237390
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -93.561503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.561503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.561503 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -30.056
Base-Backbone interact. energy: -0.433
local terms energy: -56.345935
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -4.779
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: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -99.384612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.384612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.384612 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -31.374
Base-Backbone interact. energy: -0.174
local terms energy: -67.707820
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -12.750
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: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -84.901852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.901852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.901852 (E_RNA)
where:
Base-Base interactions energy: -29.402
where: short stacking energy: -29.402
Base-Backbone interact. energy: 0.411
local terms energy: -55.910569
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -86.575307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.575307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.575307 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -26.810
Base-Backbone interact. energy: -0.183
local terms energy: -56.395724
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -3.367
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: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -257.870212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.870212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.870212 (E_RNA)
where:
Base-Base interactions energy: -175.140
where: short stacking energy: -76.246
Base-Backbone interact. energy: -0.386
local terms energy: -82.344144
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -233.282351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.282351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.282351 (E_RNA)
where:
Base-Base interactions energy: -142.594
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.068
local terms energy: -90.620199
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -25.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -211.734906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.734906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.734906 (E_RNA)
where:
Base-Base interactions energy: -132.365
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.107
local terms energy: -79.262926
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -21.434
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: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -229.662834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.662834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.662834 (E_RNA)
where:
Base-Base interactions energy: -153.400
where: short stacking energy: -61.095
Base-Backbone interact. energy: 0.603
local terms energy: -76.865682
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -208.509161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.509161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.509161 (E_RNA)
where:
Base-Base interactions energy: -138.301
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.017
local terms energy: -70.191280
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -191.466883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.466883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.466883 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.366
local terms energy: -81.363963
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -91.657292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.657292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.657292 (E_RNA)
where:
Base-Base interactions energy: -30.095
where: short stacking energy: -30.095
Base-Backbone interact. energy: 4.635
local terms energy: -66.196498
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -117.645861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.645861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.645861 (E_RNA)
where:
Base-Base interactions energy: -66.928
where: short stacking energy: -40.212
Base-Backbone interact. energy: -0.960
local terms energy: -49.757719
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -5.126
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: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -102.886308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.886308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.886308 (E_RNA)
where:
Base-Base interactions energy: -41.758
where: short stacking energy: -34.612
Base-Backbone interact. energy: -0.313
local terms energy: -60.815426
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -87.884980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.884980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.884980 (E_RNA)
where:
Base-Base interactions energy: -27.150
where: short stacking energy: -26.217
Base-Backbone interact. energy: -0.117
local terms energy: -60.618093
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -253.419776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.419776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.419776 (E_RNA)
where:
Base-Base interactions energy: -171.626
where: short stacking energy: -72.552
Base-Backbone interact. energy: -0.682
local terms energy: -81.111918
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -242.014134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.014134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.014134 (E_RNA)
where:
Base-Base interactions energy: -149.284
where: short stacking energy: -75.804
Base-Backbone interact. energy: -0.615
local terms energy: -92.115096
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -23.063
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -222.919089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.919089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.919089 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -71.941
Base-Backbone interact. energy: 0.191
local terms energy: -79.578844
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -21.531
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: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -220.626888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.626888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.626888 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -62.807
Base-Backbone interact. energy: -1.269
local terms energy: -86.209782
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -231.021368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.021368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.021368 (E_RNA)
where:
Base-Base interactions energy: -150.528
where: short stacking energy: -58.081
Base-Backbone interact. energy: -1.457
local terms energy: -79.036278
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -22.126
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: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -192.708564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.708564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.708564 (E_RNA)
where:
Base-Base interactions energy: -116.763
where: short stacking energy: -49.692
Base-Backbone interact. energy: -0.067
local terms energy: -75.878996
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -8.340
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -85.341972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341972 (E_RNA)
where:
Base-Base interactions energy: -28.275
where: short stacking energy: -24.646
Base-Backbone interact. energy: -0.372
local terms energy: -56.695848
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -8.598
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: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -87.858036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.858036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.858036 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -27.492
Base-Backbone interact. energy: -1.819
local terms energy: -46.736060
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -9.075
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: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -102.054762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.054762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.054762 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -39.883
Base-Backbone interact. energy: -0.085
local terms energy: -59.820594
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.705
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: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -80.087540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.087540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.087540 (E_RNA)
where:
Base-Base interactions energy: -29.102
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.106
local terms energy: -50.879731
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -7.251
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: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -256.237065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.237065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.237065 (E_RNA)
where:
Base-Base interactions energy: -168.338
where: short stacking energy: -67.937
Base-Backbone interact. energy: -0.337
local terms energy: -87.562694
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -20.350
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: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -237.378059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.378059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.378059 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -72.509
Base-Backbone interact. energy: -0.589
local terms energy: -84.271639
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -220.827911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.827911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.827911 (E_RNA)
where:
Base-Base interactions energy: -143.225
where: short stacking energy: -69.674
Base-Backbone interact. energy: -0.048
local terms energy: -77.554663
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -216.572000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.572000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.572000 (E_RNA)
where:
Base-Base interactions energy: -143.971
where: short stacking energy: -62.617
Base-Backbone interact. energy: -0.089
local terms energy: -72.511913
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.530
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: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -245.604603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.604603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.604603 (E_RNA)
where:
Base-Base interactions energy: -167.066
where: short stacking energy: -65.841
Base-Backbone interact. energy: -0.595
local terms energy: -77.943243
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -22.480
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: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -190.212726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.212726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.212726 (E_RNA)
where:
Base-Base interactions energy: -107.370
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.018
local terms energy: -82.824396
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -122.160002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.160002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.160002 (E_RNA)
where:
Base-Base interactions energy: -69.237
where: short stacking energy: -30.104
Base-Backbone interact. energy: -0.948
local terms energy: -51.974888
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: 2.091
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: 428
Temperature: 1.250000
Total energy: -90.943411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.943411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.943411 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.487
local terms energy: -52.822937
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -87.918662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.918662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.918662 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -31.918
Base-Backbone interact. energy: -0.271
local terms energy: -52.882424
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -2.028
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: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -82.584048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.584048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.584048 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -21.691
Base-Backbone interact. energy: -0.243
local terms energy: -44.191848
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: 5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -251.977145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.977145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.977145 (E_RNA)
where:
Base-Base interactions energy: -177.348
where: short stacking energy: -74.254
Base-Backbone interact. energy: -0.198
local terms energy: -74.431170
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -238.673539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.673539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.673539 (E_RNA)
where:
Base-Base interactions energy: -164.945
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.182
local terms energy: -73.546605
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -234.320810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.320810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.320810 (E_RNA)
where:
Base-Base interactions energy: -161.433
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.851
local terms energy: -72.036590
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -242.439558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.439558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.439558 (E_RNA)
where:
Base-Base interactions energy: -163.673
where: short stacking energy: -69.634
Base-Backbone interact. energy: -1.550
local terms energy: -77.217193
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -23.446
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: 429
Temperature: 1.100000
Total energy: -211.257986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.257986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.257986 (E_RNA)
where:
Base-Base interactions energy: -131.241
where: short stacking energy: -59.382
Base-Backbone interact. energy: -1.412
local terms energy: -78.604803
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -14.643
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -151.254741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.254741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.254741 (E_RNA)
where:
Base-Base interactions energy: -91.528
where: short stacking energy: -37.541
Base-Backbone interact. energy: -0.117
local terms energy: -59.608988
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -185.274879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.274879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.274879 (E_RNA)
where:
Base-Base interactions energy: -114.127
where: short stacking energy: -50.130
Base-Backbone interact. energy: -0.162
local terms energy: -70.985947
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -99.013814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.013814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.013814 (E_RNA)
where:
Base-Base interactions energy: -32.728
where: short stacking energy: -32.463
Base-Backbone interact. energy: -0.141
local terms energy: -66.144580
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -96.043985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.043985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.043985 (E_RNA)
where:
Base-Base interactions energy: -31.468
where: short stacking energy: -31.468
Base-Backbone interact. energy: 3.334
local terms energy: -67.910146
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -9.644
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: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -91.986094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.986094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.986094 (E_RNA)
where:
Base-Base interactions energy: -34.159
where: short stacking energy: -26.960
Base-Backbone interact. energy: -1.035
local terms energy: -56.792751
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: 0.842
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: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -253.085627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.085627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.085627 (E_RNA)
where:
Base-Base interactions energy: -161.594
where: short stacking energy: -74.679
Base-Backbone interact. energy: -0.706
local terms energy: -90.785171
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -238.275551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.275551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.275551 (E_RNA)
where:
Base-Base interactions energy: -160.904
where: short stacking energy: -66.185
Base-Backbone interact. energy: -0.181
local terms energy: -77.190699
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -244.055284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.055284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.055284 (E_RNA)
where:
Base-Base interactions energy: -158.345
where: short stacking energy: -67.437
Base-Backbone interact. energy: 0.513
local terms energy: -86.222900
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -230.216446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.216446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.216446 (E_RNA)
where:
Base-Base interactions energy: -148.854
where: short stacking energy: -66.637
Base-Backbone interact. energy: -0.016
local terms energy: -81.347041
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -195.151986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.151986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.151986 (E_RNA)
where:
Base-Base interactions energy: -113.930
where: short stacking energy: -47.504
Base-Backbone interact. energy: -0.700
local terms energy: -80.521131
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -10.687
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: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -140.900341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.900341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.900341 (E_RNA)
where:
Base-Base interactions energy: -79.704
where: short stacking energy: -36.117
Base-Backbone interact. energy: -0.172
local terms energy: -61.023895
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -167.731974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.731974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.731974 (E_RNA)
where:
Base-Base interactions energy: -102.963
where: short stacking energy: -40.800
Base-Backbone interact. energy: -0.171
local terms energy: -64.598204
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -131.635530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.635530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.635530 (E_RNA)
where:
Base-Base interactions energy: -70.829
where: short stacking energy: -42.615
Base-Backbone interact. energy: 0.139
local terms energy: -60.945339
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -11.193
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: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -98.089975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.089975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.089975 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -21.524
Base-Backbone interact. energy: -0.398
local terms energy: -53.055359
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -89.802321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.802321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.802321 (E_RNA)
where:
Base-Base interactions energy: -35.882
where: short stacking energy: -26.259
Base-Backbone interact. energy: -0.445
local terms energy: -53.475624
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -252.340074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.340074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.340074 (E_RNA)
where:
Base-Base interactions energy: -166.211
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.402
local terms energy: -85.727149
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -242.456376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.456376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.456376 (E_RNA)
where:
Base-Base interactions energy: -155.929
where: short stacking energy: -65.223
Base-Backbone interact. energy: -1.686
local terms energy: -84.841356
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -8.141
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -237.622980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.622980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.622980 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -66.148
Base-Backbone interact. energy: 0.120
local terms energy: -87.667199
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -219.080088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.080088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.080088 (E_RNA)
where:
Base-Base interactions energy: -140.844
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.267
local terms energy: -77.968617
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -194.760284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.760284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.760284 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -48.453
Base-Backbone interact. energy: 0.304
local terms energy: -71.806715
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -184.704882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.704882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.704882 (E_RNA)
where:
Base-Base interactions energy: -114.576
where: short stacking energy: -50.418
Base-Backbone interact. energy: -0.322
local terms energy: -69.807133
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -125.323925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.323925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.323925 (E_RNA)
where:
Base-Base interactions energy: -65.202
where: short stacking energy: -34.468
Base-Backbone interact. energy: 0.155
local terms energy: -60.276516
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -10.506
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: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -146.715323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.715323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.715323 (E_RNA)
where:
Base-Base interactions energy: -93.805
where: short stacking energy: -41.704
Base-Backbone interact. energy: -0.960
local terms energy: -51.949649
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -6.288
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: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -79.344720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.344720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.344720 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -17.702
Base-Backbone interact. energy: -0.088
local terms energy: -50.267495
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: 6.423
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: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -81.350887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350887 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -23.380
Base-Backbone interact. energy: -0.016
local terms energy: -48.891374
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -248.814612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.814612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.814612 (E_RNA)
where:
Base-Base interactions energy: -166.465
where: short stacking energy: -70.013
Base-Backbone interact. energy: -2.189
local terms energy: -80.160690
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -16.489
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: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -259.239208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.239208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.239208 (E_RNA)
where:
Base-Base interactions energy: -175.906
where: short stacking energy: -76.312
Base-Backbone interact. energy: -0.375
local terms energy: -82.957785
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -228.545453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.545453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.545453 (E_RNA)
where:
Base-Base interactions energy: -150.624
where: short stacking energy: -70.512
Base-Backbone interact. energy: 1.116
local terms energy: -79.037121
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -200.326211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.326211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.326211 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -59.885
Base-Backbone interact. energy: 0.417
local terms energy: -72.180600
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -202.405801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.405801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405801 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -63.315
Base-Backbone interact. energy: -1.715
local terms energy: -69.726164
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -183.740816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.740816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.740816 (E_RNA)
where:
Base-Base interactions energy: -114.613
where: short stacking energy: -53.012
Base-Backbone interact. energy: 0.184
local terms energy: -69.311403
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -118.524311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.524311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.524311 (E_RNA)
where:
Base-Base interactions energy: -56.246
where: short stacking energy: -38.504
Base-Backbone interact. energy: -0.592
local terms energy: -61.686094
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -9.718
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: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -136.372349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.372349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.372349 (E_RNA)
where:
Base-Base interactions energy: -72.790
where: short stacking energy: -41.551
Base-Backbone interact. energy: -0.073
local terms energy: -63.509251
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -10.347
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: 432
Temperature: 1.300000
Total energy: -84.079516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.079516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.079516 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -31.979
Base-Backbone interact. energy: 2.141
local terms energy: -48.310774
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: 1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -93.641546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.641546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.641546 (E_RNA)
where:
Base-Base interactions energy: -30.264
where: short stacking energy: -29.390
Base-Backbone interact. energy: -0.108
local terms energy: -63.269933
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -254.553160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.553160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.553160 (E_RNA)
where:
Base-Base interactions energy: -171.001
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.970
local terms energy: -82.582136
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -249.980327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.980327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.980327 (E_RNA)
where:
Base-Base interactions energy: -169.762
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.434
local terms energy: -79.784843
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -17.093
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: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -210.147533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.147533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.147533 (E_RNA)
where:
Base-Base interactions energy: -126.364
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.009
local terms energy: -83.774434
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -200.415009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.415009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.415009 (E_RNA)
where:
Base-Base interactions energy: -124.673
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.510
local terms energy: -75.231697
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -14.519
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -203.173549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.173549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.173549 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.771
local terms energy: -76.397567
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -183.692897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.692897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.692897 (E_RNA)
where:
Base-Base interactions energy: -110.991
where: short stacking energy: -55.840
Base-Backbone interact. energy: -0.010
local terms energy: -72.691963
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -9.223
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -13.417
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: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -135.482636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.482636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.482636 (E_RNA)
where:
Base-Base interactions energy: -85.222
where: short stacking energy: -40.304
Base-Backbone interact. energy: -1.589
local terms energy: -48.671055
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -96.316295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.316295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.316295 (E_RNA)
where:
Base-Base interactions energy: -47.421
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.426
local terms energy: -48.469061
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -84.705892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.705892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.705892 (E_RNA)
where:
Base-Base interactions energy: -26.830
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.221
local terms energy: -57.655015
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -82.610016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.610016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.610016 (E_RNA)
where:
Base-Base interactions energy: -21.739
where: short stacking energy: -21.739
Base-Backbone interact. energy: -0.059
local terms energy: -60.812093
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -257.746741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.746741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.746741 (E_RNA)
where:
Base-Base interactions energy: -174.376
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.136
local terms energy: -83.233853
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -250.375264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.375264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.375264 (E_RNA)
where:
Base-Base interactions energy: -164.130
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.487
local terms energy: -85.757995
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -216.912322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.912322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.912322 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -55.712
Base-Backbone interact. energy: -0.008
local terms energy: -85.802531
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -205.756577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.756577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.756577 (E_RNA)
where:
Base-Base interactions energy: -128.596
where: short stacking energy: -67.676
Base-Backbone interact. energy: -0.005
local terms energy: -77.156481
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -18.129
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: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -199.740486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.740486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.740486 (E_RNA)
where:
Base-Base interactions energy: -119.632
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.419
local terms energy: -79.689377
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -175.698412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.698412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.698412 (E_RNA)
where:
Base-Base interactions energy: -103.108
where: short stacking energy: -54.247
Base-Backbone interact. energy: -0.080
local terms energy: -72.511198
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -166.578146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.578146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.578146 (E_RNA)
where:
Base-Base interactions energy: -104.842
where: short stacking energy: -47.672
Base-Backbone interact. energy: -0.013
local terms energy: -61.723583
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -9.407
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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -90.835669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.835669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.835669 (E_RNA)
where:
Base-Base interactions energy: -37.050
where: short stacking energy: -31.294
Base-Backbone interact. energy: -0.289
local terms energy: -53.497111
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -6.257
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: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -87.743244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.743244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.743244 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -28.518
Base-Backbone interact. energy: -0.096
local terms energy: -51.890352
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -99.020608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.020608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.020608 (E_RNA)
where:
Base-Base interactions energy: -45.510
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.114
local terms energy: -53.397303
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -254.028185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.028185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.028185 (E_RNA)
where:
Base-Base interactions energy: -176.721
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.713
local terms energy: -76.593677
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -18.274
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: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -252.089285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.089285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.089285 (E_RNA)
where:
Base-Base interactions energy: -164.201
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.365
local terms energy: -87.523381
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -20.778
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: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -227.825687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.825687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.825687 (E_RNA)
where:
Base-Base interactions energy: -145.915
where: short stacking energy: -75.094
Base-Backbone interact. energy: -0.128
local terms energy: -81.783297
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -211.567586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.567586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.567586 (E_RNA)
where:
Base-Base interactions energy: -129.726
where: short stacking energy: -66.061
Base-Backbone interact. energy: -0.002
local terms energy: -81.839309
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -216.611142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.611142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.611142 (E_RNA)
where:
Base-Base interactions energy: -139.996
where: short stacking energy: -73.982
Base-Backbone interact. energy: 0.063
local terms energy: -76.678527
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -198.731116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.731116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.731116 (E_RNA)
where:
Base-Base interactions energy: -115.207
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.006
local terms energy: -83.517467
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -172.461532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.461532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.461532 (E_RNA)
where:
Base-Base interactions energy: -108.993
where: short stacking energy: -54.112
Base-Backbone interact. energy: 0.166
local terms energy: -63.634209
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -100.600965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.600965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.600965 (E_RNA)
where:
Base-Base interactions energy: -43.754
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.163
local terms energy: -56.683492
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -92.228510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.228510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.228510 (E_RNA)
where:
Base-Base interactions energy: -33.403
where: short stacking energy: -33.051
Base-Backbone interact. energy: -1.151
local terms energy: -57.674591
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -81.456533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456533 (E_RNA)
where:
Base-Base interactions energy: -32.733
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.090
local terms energy: -48.633742
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -246.567348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.567348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.567348 (E_RNA)
where:
Base-Base interactions energy: -163.769
where: short stacking energy: -63.639
Base-Backbone interact. energy: 2.224
local terms energy: -85.022642
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -249.734468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.734468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.734468 (E_RNA)
where:
Base-Base interactions energy: -172.693
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.846
local terms energy: -76.195083
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -225.333326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.333326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.333326 (E_RNA)
where:
Base-Base interactions energy: -147.135
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.105
local terms energy: -78.092908
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -191.038793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.038793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.038793 (E_RNA)
where:
Base-Base interactions energy: -120.716
where: short stacking energy: -59.203
Base-Backbone interact. energy: -0.326
local terms energy: -69.996431
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -12.155
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: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -184.295453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.295453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.295453 (E_RNA)
where:
Base-Base interactions energy: -117.687
where: short stacking energy: -62.575
Base-Backbone interact. energy: 0.137
local terms energy: -66.745653
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -218.759426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.759426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.759426 (E_RNA)
where:
Base-Base interactions energy: -146.609
where: short stacking energy: -74.940
Base-Backbone interact. energy: -0.003
local terms energy: -72.146929
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -23.300
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: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -162.327493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.327493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.327493 (E_RNA)
where:
Base-Base interactions energy: -100.275
where: short stacking energy: -43.578
Base-Backbone interact. energy: -0.043
local terms energy: -62.009844
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -90.010942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.010942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.010942 (E_RNA)
where:
Base-Base interactions energy: -36.994
where: short stacking energy: -34.982
Base-Backbone interact. energy: 0.067
local terms energy: -53.083415
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -3.724
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: 436
Temperature: 1.300000
Total energy: -93.897428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.897428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.897428 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -31.659
Base-Backbone interact. energy: -0.112
local terms energy: -47.641784
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -81.103152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.103152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.103152 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -27.831
Base-Backbone interact. energy: -0.158
local terms energy: -53.090160
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -2.307
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: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -251.028021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.028021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.028021 (E_RNA)
where:
Base-Base interactions energy: -164.800
where: short stacking energy: -73.292
Base-Backbone interact. energy: -0.313
local terms energy: -85.914830
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -253.915924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.915924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.915924 (E_RNA)
where:
Base-Base interactions energy: -175.954
where: short stacking energy: -69.105
Base-Backbone interact. energy: 0.299
local terms energy: -78.261374
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -19.819
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: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -216.384122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.384122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.384122 (E_RNA)
where:
Base-Base interactions energy: -145.558
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.048
local terms energy: -70.777583
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -202.234220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.234220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.234220 (E_RNA)
where:
Base-Base interactions energy: -125.602
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.192
local terms energy: -76.440877
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -190.837064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.837064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.837064 (E_RNA)
where:
Base-Base interactions energy: -118.215
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.113
local terms energy: -72.509639
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -216.116115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.116115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.116115 (E_RNA)
where:
Base-Base interactions energy: -146.330
where: short stacking energy: -59.921
Base-Backbone interact. energy: 0.185
local terms energy: -69.971369
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -164.225942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.225942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.225942 (E_RNA)
where:
Base-Base interactions energy: -106.621
where: short stacking energy: -52.563
Base-Backbone interact. energy: 0.514
local terms energy: -58.119124
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.074
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: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -87.276405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.276405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.276405 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -17.639
Base-Backbone interact. energy: -0.128
local terms energy: -62.670323
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -94.577902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.577902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.577902 (E_RNA)
where:
Base-Base interactions energy: -39.931
where: short stacking energy: -39.161
Base-Backbone interact. energy: -0.776
local terms energy: -53.870868
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -88.314378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.314378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.314378 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -35.044
Base-Backbone interact. energy: -0.241
local terms energy: -53.029138
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -7.731
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: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -256.408409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.408409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.408409 (E_RNA)
where:
Base-Base interactions energy: -177.693
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.288
local terms energy: -78.428358
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -15.959
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: 438
Temperature: 0.950000
Total energy: -244.119856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.119856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.119856 (E_RNA)
where:
Base-Base interactions energy: -170.096
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.508
local terms energy: -73.515103
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -210.664395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.664395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.664395 (E_RNA)
where:
Base-Base interactions energy: -133.511
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.643
local terms energy: -76.509740
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -210.160969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.160969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.160969 (E_RNA)
where:
Base-Base interactions energy: -137.689
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.265
local terms energy: -72.207378
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -18.958
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: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -196.231494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.231494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.231494 (E_RNA)
where:
Base-Base interactions energy: -120.636
where: short stacking energy: -49.855
Base-Backbone interact. energy: 0.933
local terms energy: -76.528564
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -180.949025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.949025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.949025 (E_RNA)
where:
Base-Base interactions energy: -112.998
where: short stacking energy: -50.352
Base-Backbone interact. energy: -0.057
local terms energy: -67.894116
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -171.646257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.646257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.646257 (E_RNA)
where:
Base-Base interactions energy: -103.587
where: short stacking energy: -51.366
Base-Backbone interact. energy: -0.011
local terms energy: -68.048056
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -12.662
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: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -85.289310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.289310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.289310 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -31.433
Base-Backbone interact. energy: 1.133
local terms energy: -50.260092
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -106.308319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.308319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.308319 (E_RNA)
where:
Base-Base interactions energy: -50.176
where: short stacking energy: -34.712
Base-Backbone interact. energy: -1.932
local terms energy: -54.200338
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -0.979
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: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -81.960367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.960367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.960367 (E_RNA)
where:
Base-Base interactions energy: -28.844
where: short stacking energy: -23.636
Base-Backbone interact. energy: -0.170
local terms energy: -52.946918
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -255.952474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.952474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.952474 (E_RNA)
where:
Base-Base interactions energy: -173.174
where: short stacking energy: -77.858
Base-Backbone interact. energy: -0.053
local terms energy: -82.724727
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -20.859
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: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -248.191509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.191509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.191509 (E_RNA)
where:
Base-Base interactions energy: -167.758
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.450
local terms energy: -79.983419
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -20.697
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: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -215.519113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.519113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.519113 (E_RNA)
where:
Base-Base interactions energy: -140.885
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.566
local terms energy: -74.067888
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -206.196927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.196927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.196927 (E_RNA)
where:
Base-Base interactions energy: -123.364
where: short stacking energy: -56.599
Base-Backbone interact. energy: -0.858
local terms energy: -81.975048
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -13.654
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: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -177.426173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.426173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.426173 (E_RNA)
where:
Base-Base interactions energy: -105.835
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.254
local terms energy: -71.337666
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -13.762
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: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -171.197708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.197708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.197708 (E_RNA)
where:
Base-Base interactions energy: -100.929
where: short stacking energy: -34.470
Base-Backbone interact. energy: -2.957
local terms energy: -67.312555
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -162.037773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.037773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.037773 (E_RNA)
where:
Base-Base interactions energy: -99.848
where: short stacking energy: -54.088
Base-Backbone interact. energy: -0.070
local terms energy: -62.120167
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -85.282288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.282288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.282288 (E_RNA)
where:
Base-Base interactions energy: -32.365
where: short stacking energy: -32.365
Base-Backbone interact. energy: -0.646
local terms energy: -52.270475
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -86.268989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.268989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.268989 (E_RNA)
where:
Base-Base interactions energy: -28.948
where: short stacking energy: -27.674
Base-Backbone interact. energy: -0.510
local terms energy: -56.810836
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -84.610561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.610561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.610561 (E_RNA)
where:
Base-Base interactions energy: -29.048
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.292
local terms energy: -55.270459
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: 2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -250.056717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.056717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.056717 (E_RNA)
where:
Base-Base interactions energy: -165.168
where: short stacking energy: -72.416
Base-Backbone interact. energy: -0.318
local terms energy: -84.570458
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -258.748271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.748271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.748271 (E_RNA)
where:
Base-Base interactions energy: -177.229
where: short stacking energy: -75.878
Base-Backbone interact. energy: 2.709
local terms energy: -84.229129
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -217.598575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.598575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.598575 (E_RNA)
where:
Base-Base interactions energy: -132.096
where: short stacking energy: -68.158
Base-Backbone interact. energy: 0.302
local terms energy: -85.805186
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -200.379868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.379868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.379868 (E_RNA)
where:
Base-Base interactions energy: -121.033
where: short stacking energy: -56.362
Base-Backbone interact. energy: 0.238
local terms energy: -79.585035
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -16.101
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -215.266287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.266287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.266287 (E_RNA)
where:
Base-Base interactions energy: -145.550
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.290
local terms energy: -69.426480
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -14.813
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: 440
Temperature: 1.150000
Total energy: -193.928019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.928019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.928019 (E_RNA)
where:
Base-Base interactions energy: -115.224
where: short stacking energy: -58.977
Base-Backbone interact. energy: -0.107
local terms energy: -78.596441
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -151.312828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.312828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.312828 (E_RNA)
where:
Base-Base interactions energy: -88.976
where: short stacking energy: -42.360
Base-Backbone interact. energy: -0.032
local terms energy: -62.305123
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -88.271444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.271444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.271444 (E_RNA)
where:
Base-Base interactions energy: -29.787
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.594
local terms energy: -57.890186
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -95.895290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.895290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.895290 (E_RNA)
where:
Base-Base interactions energy: -36.500
where: short stacking energy: -35.537
Base-Backbone interact. energy: 0.573
local terms energy: -59.968574
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -7.158
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: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -81.681777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.681777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.681777 (E_RNA)
where:
Base-Base interactions energy: -23.065
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.038
local terms energy: -58.578284
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -5.749
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: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -263.486412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.486412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.486412 (E_RNA)
where:
Base-Base interactions energy: -178.227
where: short stacking energy: -76.423
Base-Backbone interact. energy: 0.060
local terms energy: -85.320083
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -253.172679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.172679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.172679 (E_RNA)
where:
Base-Base interactions energy: -174.347
where: short stacking energy: -74.536
Base-Backbone interact. energy: 0.306
local terms energy: -79.131585
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -19.715
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -221.815590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.815590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.815590 (E_RNA)
where:
Base-Base interactions energy: -150.374
where: short stacking energy: -59.426
Base-Backbone interact. energy: -0.285
local terms energy: -71.156276
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -190.467502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.467502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.467502 (E_RNA)
where:
Base-Base interactions energy: -116.025
where: short stacking energy: -56.907
Base-Backbone interact. energy: 0.573
local terms energy: -75.014873
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -171.668648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.668648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.668648 (E_RNA)
where:
Base-Base interactions energy: -109.549
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.489
local terms energy: -61.630451
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -5.500
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: 441
Temperature: 1.150000
Total energy: -190.446356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.446356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.446356 (E_RNA)
where:
Base-Base interactions energy: -121.050
where: short stacking energy: -53.642
Base-Backbone interact. energy: -0.030
local terms energy: -69.366193
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -15.824
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: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -167.306303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.306303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.306303 (E_RNA)
where:
Base-Base interactions energy: -97.967
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.452
local terms energy: -68.887438
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -90.610048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.610048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.610048 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -36.306
Base-Backbone interact. energy: -0.139
local terms energy: -53.048126
where:
bonds (distance) C4'-P energy: -5.872
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -101.623811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.623811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.623811 (E_RNA)
where:
Base-Base interactions energy: -48.858
where: short stacking energy: -28.094
Base-Backbone interact. energy: -0.067
local terms energy: -52.698650
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -6.588
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: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -82.749779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.749779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.749779 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.328
local terms energy: -53.361093
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -262.826159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.826159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.826159 (E_RNA)
where:
Base-Base interactions energy: -177.537
where: short stacking energy: -81.185
Base-Backbone interact. energy: -0.562
local terms energy: -84.727289
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -253.205897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.205897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.205897 (E_RNA)
where:
Base-Base interactions energy: -173.280
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.914
local terms energy: -79.011673
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -201.849967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.849967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.849967 (E_RNA)
where:
Base-Base interactions energy: -130.936
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.597
local terms energy: -70.317105
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -15.187
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: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -200.110764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.110764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.110764 (E_RNA)
where:
Base-Base interactions energy: -123.740
where: short stacking energy: -49.320
Base-Backbone interact. energy: -0.015
local terms energy: -76.356607
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -191.769021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.769021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.769021 (E_RNA)
where:
Base-Base interactions energy: -121.926
where: short stacking energy: -55.498
Base-Backbone interact. energy: -0.740
local terms energy: -69.103804
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -192.900142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.900142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.900142 (E_RNA)
where:
Base-Base interactions energy: -109.902
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.239
local terms energy: -82.759398
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -168.333230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.333230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.333230 (E_RNA)
where:
Base-Base interactions energy: -106.773
where: short stacking energy: -55.159
Base-Backbone interact. energy: -1.087
local terms energy: -60.473035
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -91.240254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.240254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.240254 (E_RNA)
where:
Base-Base interactions energy: -37.539
where: short stacking energy: -33.580
Base-Backbone interact. energy: -0.990
local terms energy: -52.710830
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -83.336763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.336763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.336763 (E_RNA)
where:
Base-Base interactions energy: -19.218
where: short stacking energy: -17.595
Base-Backbone interact. energy: -0.392
local terms energy: -63.727179
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -74.504208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.504208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.504208 (E_RNA)
where:
Base-Base interactions energy: -21.740
where: short stacking energy: -21.280
Base-Backbone interact. energy: 0.712
local terms energy: -53.476443
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: 0.003
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: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -262.382329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.382329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.382329 (E_RNA)
where:
Base-Base interactions energy: -179.543
where: short stacking energy: -75.099
Base-Backbone interact. energy: -0.022
local terms energy: -82.817540
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -253.897609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.897609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.897609 (E_RNA)
where:
Base-Base interactions energy: -170.030
where: short stacking energy: -83.124
Base-Backbone interact. energy: -0.445
local terms energy: -83.422452
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -225.283745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.283745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.283745 (E_RNA)
where:
Base-Base interactions energy: -144.641
where: short stacking energy: -64.942
Base-Backbone interact. energy: 0.157
local terms energy: -80.799392
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -14.018
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: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -198.704565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.704565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.704565 (E_RNA)
where:
Base-Base interactions energy: -129.965
where: short stacking energy: -62.999
Base-Backbone interact. energy: -0.800
local terms energy: -67.940118
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -16.767
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: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -203.372330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.372330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.372330 (E_RNA)
where:
Base-Base interactions energy: -130.780
where: short stacking energy: -50.960
Base-Backbone interact. energy: 0.598
local terms energy: -73.190714
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -10.927
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -186.029925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.029925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.029925 (E_RNA)
where:
Base-Base interactions energy: -121.910
where: short stacking energy: -51.892
Base-Backbone interact. energy: 0.075
local terms energy: -64.195118
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -177.519112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.519112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.519112 (E_RNA)
where:
Base-Base interactions energy: -109.849
where: short stacking energy: -55.379
Base-Backbone interact. energy: -0.764
local terms energy: -66.906320
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -92.681038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.681038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.681038 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.235
local terms energy: -59.108698
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -0.650
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: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -84.549281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.549281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.549281 (E_RNA)
where:
Base-Base interactions energy: -26.445
where: short stacking energy: -24.755
Base-Backbone interact. energy: -0.364
local terms energy: -57.740304
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -86.391911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.391911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.391911 (E_RNA)
where:
Base-Base interactions energy: -24.668
where: short stacking energy: -22.408
Base-Backbone interact. energy: -0.471
local terms energy: -61.253856
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -7.839
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: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -251.857096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.857096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.857096 (E_RNA)
where:
Base-Base interactions energy: -167.705
where: short stacking energy: -69.195
Base-Backbone interact. energy: -0.067
local terms energy: -84.085195
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -22.514
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: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -260.469754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.469754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.469754 (E_RNA)
where:
Base-Base interactions energy: -184.942
where: short stacking energy: -75.184
Base-Backbone interact. energy: -0.137
local terms energy: -75.390838
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -229.765025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.765025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.765025 (E_RNA)
where:
Base-Base interactions energy: -154.007
where: short stacking energy: -65.691
Base-Backbone interact. energy: -0.419
local terms energy: -75.339723
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -212.280211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.280211 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.005
local terms energy: -79.514676
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -182.332456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.332456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.332456 (E_RNA)
where:
Base-Base interactions energy: -119.938
where: short stacking energy: -48.293
Base-Backbone interact. energy: -0.991
local terms energy: -61.403361
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -187.284763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.284763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.284763 (E_RNA)
where:
Base-Base interactions energy: -113.117
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.205
local terms energy: -73.962408
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -170.199713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.199713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.199713 (E_RNA)
where:
Base-Base interactions energy: -108.274
where: short stacking energy: -45.767
Base-Backbone interact. energy: -1.016
local terms energy: -60.910038
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -94.978401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.978401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.978401 (E_RNA)
where:
Base-Base interactions energy: -45.292
where: short stacking energy: -24.696
Base-Backbone interact. energy: -0.958
local terms energy: -48.728425
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -82.811953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.811953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.811953 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.738
local terms energy: -41.864849
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: 1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -77.786770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.786770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.786770 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -23.702
Base-Backbone interact. energy: -0.126
local terms energy: -41.982978
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: 2.965
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: 445
Temperature: 0.900000
Total energy: -259.420920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.420920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.420920 (E_RNA)
where:
Base-Base interactions energy: -175.645
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.690
local terms energy: -83.086387
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -21.764
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: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -248.631087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.631087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.631087 (E_RNA)
where:
Base-Base interactions energy: -174.173
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.327
local terms energy: -74.130574
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -211.886678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.886678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.886678 (E_RNA)
where:
Base-Base interactions energy: -139.700
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.554
local terms energy: -71.632893
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -192.540724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.540724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.540724 (E_RNA)
where:
Base-Base interactions energy: -117.064
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.519
local terms energy: -74.956874
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -200.744852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.744852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.744852 (E_RNA)
where:
Base-Base interactions energy: -124.783
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.057
local terms energy: -75.905428
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -183.034290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.034290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.034290 (E_RNA)
where:
Base-Base interactions energy: -113.321
where: short stacking energy: -56.717
Base-Backbone interact. energy: -0.061
local terms energy: -69.652294
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -15.489
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: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -163.664910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.664910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.664910 (E_RNA)
where:
Base-Base interactions energy: -106.755
where: short stacking energy: -40.694
Base-Backbone interact. energy: 0.547
local terms energy: -57.456379
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -11.465
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: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -86.610186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.610186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.610186 (E_RNA)
where:
Base-Base interactions energy: -48.208
where: short stacking energy: -30.014
Base-Backbone interact. energy: -0.231
local terms energy: -38.171171
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: 2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -86.765957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.765957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.765957 (E_RNA)
where:
Base-Base interactions energy: -29.881
where: short stacking energy: -22.347
Base-Backbone interact. energy: -1.945
local terms energy: -54.939300
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -83.121357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.121357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.121357 (E_RNA)
where:
Base-Base interactions energy: -29.336
where: short stacking energy: -21.939
Base-Backbone interact. energy: -0.118
local terms energy: -53.667082
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -6.266
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -250.885203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.885203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.885203 (E_RNA)
where:
Base-Base interactions energy: -164.725
where: short stacking energy: -75.361
Base-Backbone interact. energy: -0.194
local terms energy: -85.966517
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -254.447690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.447690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.447690 (E_RNA)
where:
Base-Base interactions energy: -168.529
where: short stacking energy: -73.816
Base-Backbone interact. energy: -0.691
local terms energy: -85.227612
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -205.556233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.556233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.556233 (E_RNA)
where:
Base-Base interactions energy: -125.463
where: short stacking energy: -62.054
Base-Backbone interact. energy: -0.421
local terms energy: -79.671727
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -190.372220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.372220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.372220 (E_RNA)
where:
Base-Base interactions energy: -120.856
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.048
local terms energy: -69.468372
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -206.547030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.547030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.547030 (E_RNA)
where:
Base-Base interactions energy: -135.338
where: short stacking energy: -63.889
Base-Backbone interact. energy: -0.051
local terms energy: -71.158493
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -193.737521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.737521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.737521 (E_RNA)
where:
Base-Base interactions energy: -117.944
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.121
local terms energy: -75.672720
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -17.593
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -174.416153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.416153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.416153 (E_RNA)
where:
Base-Base interactions energy: -109.541
where: short stacking energy: -60.627
Base-Backbone interact. energy: -0.070
local terms energy: -64.805407
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -87.767377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767377 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -36.853
Base-Backbone interact. energy: -0.016
local terms energy: -50.898224
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: 0.578
tors. eta vs tors. theta energy: -6.947
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: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -97.614595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.614595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.614595 (E_RNA)
where:
Base-Base interactions energy: -47.183
where: short stacking energy: -21.214
Base-Backbone interact. energy: -1.070
local terms energy: -49.361808
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.802
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: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -107.605036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.605036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.605036 (E_RNA)
where:
Base-Base interactions energy: -56.234
where: short stacking energy: -24.257
Base-Backbone interact. energy: -0.043
local terms energy: -51.328230
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -7.776
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: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -252.635793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.635793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.635793 (E_RNA)
where:
Base-Base interactions energy: -173.917
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.544
local terms energy: -78.174041
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -244.288524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.288524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.288524 (E_RNA)
where:
Base-Base interactions energy: -161.950
where: short stacking energy: -73.975
Base-Backbone interact. energy: -0.723
local terms energy: -81.616267
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -219.759074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.759074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.759074 (E_RNA)
where:
Base-Base interactions energy: -135.126
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.945
local terms energy: -83.688066
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -210.001106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001106 (E_RNA)
where:
Base-Base interactions energy: -131.541
where: short stacking energy: -70.570
Base-Backbone interact. energy: -0.001
local terms energy: -78.458287
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -196.820869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.820869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.820869 (E_RNA)
where:
Base-Base interactions energy: -124.109
where: short stacking energy: -59.568
Base-Backbone interact. energy: -0.358
local terms energy: -72.354051
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -174.355254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.355254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.355254 (E_RNA)
where:
Base-Base interactions energy: -110.925
where: short stacking energy: -45.613
Base-Backbone interact. energy: -0.777
local terms energy: -62.652560
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -10.035
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: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -160.518135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.518135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.518135 (E_RNA)
where:
Base-Base interactions energy: -102.621
where: short stacking energy: -40.909
Base-Backbone interact. energy: 1.114
local terms energy: -59.010983
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -92.524838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.524838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.524838 (E_RNA)
where:
Base-Base interactions energy: -33.645
where: short stacking energy: -31.098
Base-Backbone interact. energy: 0.099
local terms energy: -58.978181
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -2.022
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: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -96.429409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429409 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -34.279
Base-Backbone interact. energy: -0.182
local terms energy: -61.968283
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -88.315603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.315603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.315603 (E_RNA)
where:
Base-Base interactions energy: -40.361
where: short stacking energy: -10.173
Base-Backbone interact. energy: -0.384
local terms energy: -47.569963
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: 3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -256.478351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.478351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.478351 (E_RNA)
where:
Base-Base interactions energy: -172.883
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.342
local terms energy: -83.252821
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -18.385
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: 448
Temperature: 0.950000
Total energy: -258.678329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.678329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.678329 (E_RNA)
where:
Base-Base interactions energy: -176.002
where: short stacking energy: -66.194
Base-Backbone interact. energy: -0.423
local terms energy: -82.252611
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -19.202
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: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -220.960433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.960433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.960433 (E_RNA)
where:
Base-Base interactions energy: -143.152
where: short stacking energy: -60.052
Base-Backbone interact. energy: -1.509
local terms energy: -76.298872
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -201.013114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.013114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.013114 (E_RNA)
where:
Base-Base interactions energy: -130.660
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.078
local terms energy: -70.275440
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -200.818411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.818411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.818411 (E_RNA)
where:
Base-Base interactions energy: -123.402
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.294
local terms energy: -77.122978
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -19.628
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: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -173.968749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.968749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.968749 (E_RNA)
where:
Base-Base interactions energy: -106.780
where: short stacking energy: -42.190
Base-Backbone interact. energy: -0.628
local terms energy: -66.560968
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -161.152454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.152454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.152454 (E_RNA)
where:
Base-Base interactions energy: -100.159
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.309
local terms energy: -60.684812
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -96.986516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986516 (E_RNA)
where:
Base-Base interactions energy: -43.154
where: short stacking energy: -31.878
Base-Backbone interact. energy: -0.166
local terms energy: -53.666555
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -107.363676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.363676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.363676 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.148
local terms energy: -60.454374
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -87.736772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.736772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.736772 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -32.963
Base-Backbone interact. energy: 0.387
local terms energy: -55.160953
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -253.164162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.164162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.164162 (E_RNA)
where:
Base-Base interactions energy: -169.349
where: short stacking energy: -71.841
Base-Backbone interact. energy: -0.194
local terms energy: -83.620300
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -255.907519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.907519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.907519 (E_RNA)
where:
Base-Base interactions energy: -175.545
where: short stacking energy: -58.459
Base-Backbone interact. energy: 0.056
local terms energy: -80.417788
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -226.524327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.524327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.524327 (E_RNA)
where:
Base-Base interactions energy: -144.314
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.319
local terms energy: -81.891698
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -189.812743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.812743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.812743 (E_RNA)
where:
Base-Base interactions energy: -116.017
where: short stacking energy: -60.524
Base-Backbone interact. energy: -0.088
local terms energy: -73.707843
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -197.059779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.059779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.059779 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.107
local terms energy: -73.367653
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -169.190033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.190033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.190033 (E_RNA)
where:
Base-Base interactions energy: -112.786
where: short stacking energy: -48.957
Base-Backbone interact. energy: 0.642
local terms energy: -57.045384
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -171.328115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.328115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.328115 (E_RNA)
where:
Base-Base interactions energy: -105.800
where: short stacking energy: -57.777
Base-Backbone interact. energy: 0.868
local terms energy: -66.396875
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -16.010
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: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -90.734173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.734173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.734173 (E_RNA)
where:
Base-Base interactions energy: -40.408
where: short stacking energy: -28.932
Base-Backbone interact. energy: -0.486
local terms energy: -49.839705
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -108.816798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.816798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.816798 (E_RNA)
where:
Base-Base interactions energy: -49.956
where: short stacking energy: -29.076
Base-Backbone interact. energy: -0.412
local terms energy: -58.449067
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -80.395918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.395918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.395918 (E_RNA)
where:
Base-Base interactions energy: -33.020
where: short stacking energy: -11.110
Base-Backbone interact. energy: -0.767
local terms energy: -46.608589
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -257.691271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.691271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.691271 (E_RNA)
where:
Base-Base interactions energy: -174.567
where: short stacking energy: -78.732
Base-Backbone interact. energy: -0.155
local terms energy: -82.969387
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -248.614031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.614031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.614031 (E_RNA)
where:
Base-Base interactions energy: -175.221
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.325
local terms energy: -73.067362
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -223.367861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.367861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.367861 (E_RNA)
where:
Base-Base interactions energy: -142.349
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.250
local terms energy: -80.768127
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -203.999247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.999247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.999247 (E_RNA)
where:
Base-Base interactions energy: -135.249
where: short stacking energy: -59.510
Base-Backbone interact. energy: 1.700
local terms energy: -70.449811
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -194.532316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.532316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.532316 (E_RNA)
where:
Base-Base interactions energy: -120.125
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.008
local terms energy: -74.399473
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -16.410
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: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -172.591596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.591596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.591596 (E_RNA)
where:
Base-Base interactions energy: -102.051
where: short stacking energy: -47.457
Base-Backbone interact. energy: 1.211
local terms energy: -71.751758
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -12.047
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: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -174.334222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.334222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.334222 (E_RNA)
where:
Base-Base interactions energy: -101.635
where: short stacking energy: -49.861
Base-Backbone interact. energy: -0.904
local terms energy: -71.796077
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -102.625128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.625128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.625128 (E_RNA)
where:
Base-Base interactions energy: -40.812
where: short stacking energy: -23.570
Base-Backbone interact. energy: 1.021
local terms energy: -62.833589
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -1.738
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: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -91.907469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907469 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.296
local terms energy: -47.587320
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: 4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -92.841020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.841020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.841020 (E_RNA)
where:
Base-Base interactions energy: -42.485
where: short stacking energy: -26.535
Base-Backbone interact. energy: -0.120
local terms energy: -50.235855
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -1.153
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -258.885977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.885977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.885977 (E_RNA)
where:
Base-Base interactions energy: -171.267
where: short stacking energy: -78.494
Base-Backbone interact. energy: -0.455
local terms energy: -87.163895
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -252.559161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.559161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.559161 (E_RNA)
where:
Base-Base interactions energy: -176.140
where: short stacking energy: -66.217
Base-Backbone interact. energy: 1.986
local terms energy: -78.405452
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -227.299822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.299822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.299822 (E_RNA)
where:
Base-Base interactions energy: -148.093
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.392
local terms energy: -78.814412
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -19.429
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: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -198.070026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.070026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.070026 (E_RNA)
where:
Base-Base interactions energy: -124.015
where: short stacking energy: -61.709
Base-Backbone interact. energy: -0.640
local terms energy: -73.415326
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -14.783
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: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -167.938734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.938734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.938734 (E_RNA)
where:
Base-Base interactions energy: -98.108
where: short stacking energy: -52.049
Base-Backbone interact. energy: 0.075
local terms energy: -69.906273
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -194.204070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.204070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.204070 (E_RNA)
where:
Base-Base interactions energy: -117.082
where: short stacking energy: -55.728
Base-Backbone interact. energy: -0.960
local terms energy: -76.162073
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -143.673523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.673523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.673523 (E_RNA)
where:
Base-Base interactions energy: -84.268
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.219
local terms energy: -59.186607
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -7.455
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: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -96.763436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.763436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.763436 (E_RNA)
where:
Base-Base interactions energy: -37.393
where: short stacking energy: -37.393
Base-Backbone interact. energy: -0.109
local terms energy: -59.261579
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -90.052326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.052326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.052326 (E_RNA)
where:
Base-Base interactions energy: -29.278
where: short stacking energy: -25.320
Base-Backbone interact. energy: -0.405
local terms energy: -60.368866
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -7.298
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: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -86.119426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.119426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.119426 (E_RNA)
where:
Base-Base interactions energy: -26.799
where: short stacking energy: -23.938
Base-Backbone interact. energy: -0.290
local terms energy: -59.030506
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -263.262216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.262216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.262216 (E_RNA)
where:
Base-Base interactions energy: -176.644
where: short stacking energy: -73.755
Base-Backbone interact. energy: 0.061
local terms energy: -86.679087
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -258.836448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.836448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.836448 (E_RNA)
where:
Base-Base interactions energy: -175.110
where: short stacking energy: -68.803
Base-Backbone interact. energy: 0.369
local terms energy: -84.094694
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -224.787781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.787781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.787781 (E_RNA)
where:
Base-Base interactions energy: -145.770
where: short stacking energy: -61.222
Base-Backbone interact. energy: -0.042
local terms energy: -78.975614
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -208.313971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.313971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.313971 (E_RNA)
where:
Base-Base interactions energy: -128.867
where: short stacking energy: -67.414
Base-Backbone interact. energy: -0.034
local terms energy: -79.412151
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -169.779411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.779411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.779411 (E_RNA)
where:
Base-Base interactions energy: -106.021
where: short stacking energy: -48.480
Base-Backbone interact. energy: 0.401
local terms energy: -64.160060
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -9.801
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: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -164.860510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.860510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.860510 (E_RNA)
where:
Base-Base interactions energy: -96.527
where: short stacking energy: -45.463
Base-Backbone interact. energy: -0.055
local terms energy: -68.278426
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -161.465885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.465885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.465885 (E_RNA)
where:
Base-Base interactions energy: -99.580
where: short stacking energy: -40.406
Base-Backbone interact. energy: -0.019
local terms energy: -61.866914
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -7.598
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: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -84.386642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.386642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.386642 (E_RNA)
where:
Base-Base interactions energy: -34.934
where: short stacking energy: -13.131
Base-Backbone interact. energy: 2.559
local terms energy: -52.012195
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -88.887424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.887424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.887424 (E_RNA)
where:
Base-Base interactions energy: -30.693
where: short stacking energy: -30.359
Base-Backbone interact. energy: -0.143
local terms energy: -58.051223
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -6.762
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: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -80.888401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.888401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.888401 (E_RNA)
where:
Base-Base interactions energy: -26.434
where: short stacking energy: -18.360
Base-Backbone interact. energy: 0.024
local terms energy: -54.478781
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -11.594
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: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -265.072507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.072507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.072507 (E_RNA)
where:
Base-Base interactions energy: -179.972
where: short stacking energy: -78.304
Base-Backbone interact. energy: -0.316
local terms energy: -84.784614
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -251.575501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.575501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.575501 (E_RNA)
where:
Base-Base interactions energy: -164.566
where: short stacking energy: -71.357
Base-Backbone interact. energy: -0.525
local terms energy: -86.484149
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -21.284
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: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -219.214946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.214946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.214946 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.070
local terms energy: -84.060082
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -204.731046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.731046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.731046 (E_RNA)
where:
Base-Base interactions energy: -127.891
where: short stacking energy: -64.229
Base-Backbone interact. energy: -0.381
local terms energy: -76.459065
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -205.646783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.646783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.646783 (E_RNA)
where:
Base-Base interactions energy: -126.979
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.698
local terms energy: -77.969737
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -181.687849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.687849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.687849 (E_RNA)
where:
Base-Base interactions energy: -114.201
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.055
local terms energy: -67.432030
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -183.911026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.911026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.911026 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.170
local terms energy: -73.229591
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -90.781546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.781546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.781546 (E_RNA)
where:
Base-Base interactions energy: -29.251
where: short stacking energy: -23.629
Base-Backbone interact. energy: -0.380
local terms energy: -61.149786
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.035
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: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -81.618509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.618509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.618509 (E_RNA)
where:
Base-Base interactions energy: -21.175
where: short stacking energy: -20.816
Base-Backbone interact. energy: -0.090
local terms energy: -60.354099
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -77.266690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.266690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.266690 (E_RNA)
where:
Base-Base interactions energy: -18.735
where: short stacking energy: -14.444
Base-Backbone interact. energy: -0.320
local terms energy: -58.211983
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: 0.115
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: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -260.747775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.747775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.747775 (E_RNA)
where:
Base-Base interactions energy: -180.566
where: short stacking energy: -73.737
Base-Backbone interact. energy: -0.216
local terms energy: -79.966562
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -248.399468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.399468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.399468 (E_RNA)
where:
Base-Base interactions energy: -170.147
where: short stacking energy: -70.742
Base-Backbone interact. energy: 1.194
local terms energy: -79.446641
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -15.831
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: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -212.920065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.920065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.920065 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -67.322
Base-Backbone interact. energy: -0.684
local terms energy: -78.993502
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -199.380848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.380848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.380848 (E_RNA)
where:
Base-Base interactions energy: -124.119
where: short stacking energy: -54.521
Base-Backbone interact. energy: -0.680
local terms energy: -74.582013
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -214.434625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.434625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.434625 (E_RNA)
where:
Base-Base interactions energy: -138.603
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.602
local terms energy: -75.229205
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -185.826418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.826418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.826418 (E_RNA)
where:
Base-Base interactions energy: -116.812
where: short stacking energy: -49.026
Base-Backbone interact. energy: -0.021
local terms energy: -68.993454
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -175.408800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.408800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.408800 (E_RNA)
where:
Base-Base interactions energy: -114.955
where: short stacking energy: -58.225
Base-Backbone interact. energy: -0.048
local terms energy: -60.406043
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -85.669685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669685 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.322
local terms energy: -53.554294
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -3.932
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: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -105.436078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.436078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.436078 (E_RNA)
where:
Base-Base interactions energy: -43.642
where: short stacking energy: -28.447
Base-Backbone interact. energy: -0.177
local terms energy: -61.618009
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -77.043863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.043863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.043863 (E_RNA)
where:
Base-Base interactions energy: -28.600
where: short stacking energy: -17.776
Base-Backbone interact. energy: -0.418
local terms energy: -48.025281
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: 0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -259.411657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.411657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.411657 (E_RNA)
where:
Base-Base interactions energy: -178.915
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.305
local terms energy: -80.191515
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -226.831198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.831198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.831198 (E_RNA)
where:
Base-Base interactions energy: -147.319
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.052
local terms energy: -79.459980
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -15.483
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: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -250.757763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.757763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.757763 (E_RNA)
where:
Base-Base interactions energy: -164.781
where: short stacking energy: -64.562
Base-Backbone interact. energy: -0.368
local terms energy: -85.608676
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -198.605341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.605341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.605341 (E_RNA)
where:
Base-Base interactions energy: -122.391
where: short stacking energy: -62.478
Base-Backbone interact. energy: 0.081
local terms energy: -76.295581
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -189.009895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.009895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.009895 (E_RNA)
where:
Base-Base interactions energy: -118.974
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.303
local terms energy: -69.733076
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -182.840067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.840067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.840067 (E_RNA)
where:
Base-Base interactions energy: -112.736
where: short stacking energy: -51.792
Base-Backbone interact. energy: 0.521
local terms energy: -70.625527
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -187.005891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.005891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.005891 (E_RNA)
where:
Base-Base interactions energy: -116.153
where: short stacking energy: -55.723
Base-Backbone interact. energy: -0.187
local terms energy: -70.665096
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -12.959
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: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -95.505881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.505881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.505881 (E_RNA)
where:
Base-Base interactions energy: -34.793
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.269
local terms energy: -60.444065
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -2.590
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: 455
Temperature: 1.300000
Total energy: -93.633893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.633893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.633893 (E_RNA)
where:
Base-Base interactions energy: -36.197
where: short stacking energy: -27.394
Base-Backbone interact. energy: -0.197
local terms energy: -57.240450
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -82.311640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.311640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.311640 (E_RNA)
where:
Base-Base interactions energy: -31.906
where: short stacking energy: -31.906
Base-Backbone interact. energy: -1.373
local terms energy: -49.033513
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -232.156830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.156830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.156830 (E_RNA)
where:
Base-Base interactions energy: -150.085
where: short stacking energy: -67.637
Base-Backbone interact. energy: -0.003
local terms energy: -82.068901
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -249.922810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.922810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.922810 (E_RNA)
where:
Base-Base interactions energy: -169.864
where: short stacking energy: -67.584
Base-Backbone interact. energy: 0.020
local terms energy: -80.078687
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -244.044117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.044117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.044117 (E_RNA)
where:
Base-Base interactions energy: -167.759
where: short stacking energy: -70.177
Base-Backbone interact. energy: 1.140
local terms energy: -77.424693
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -211.870477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.870477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.870477 (E_RNA)
where:
Base-Base interactions energy: -135.431
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.555
local terms energy: -75.884288
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -192.785733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.785733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.785733 (E_RNA)
where:
Base-Base interactions energy: -121.518
where: short stacking energy: -53.323
Base-Backbone interact. energy: 1.041
local terms energy: -72.309386
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -205.989556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.989556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.989556 (E_RNA)
where:
Base-Base interactions energy: -127.747
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.087
local terms energy: -78.155190
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -177.327342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.327342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.327342 (E_RNA)
where:
Base-Base interactions energy: -112.601
where: short stacking energy: -57.988
Base-Backbone interact. energy: -0.014
local terms energy: -64.712283
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -86.907671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.907671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.907671 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.274
local terms energy: -58.403707
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -97.630576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.630576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.630576 (E_RNA)
where:
Base-Base interactions energy: -36.143
where: short stacking energy: -23.534
Base-Backbone interact. energy: -0.306
local terms energy: -61.182082
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -3.877
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: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -99.009170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009170 (E_RNA)
where:
Base-Base interactions energy: -51.967
where: short stacking energy: -22.982
Base-Backbone interact. energy: -0.136
local terms energy: -46.905558
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -239.844907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.844907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.844907 (E_RNA)
where:
Base-Base interactions energy: -159.984
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.024
local terms energy: -79.836462
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -249.587220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.587220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.587220 (E_RNA)
where:
Base-Base interactions energy: -170.993
where: short stacking energy: -73.388
Base-Backbone interact. energy: -0.196
local terms energy: -78.398190
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -240.171284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.171284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.171284 (E_RNA)
where:
Base-Base interactions energy: -165.258
where: short stacking energy: -61.106
Base-Backbone interact. energy: -0.288
local terms energy: -74.624538
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -223.097601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.097601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.097601 (E_RNA)
where:
Base-Base interactions energy: -148.437
where: short stacking energy: -63.335
Base-Backbone interact. energy: -0.169
local terms energy: -74.491773
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -180.629228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.629228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.629228 (E_RNA)
where:
Base-Base interactions energy: -111.231
where: short stacking energy: -57.691
Base-Backbone interact. energy: -0.929
local terms energy: -68.469213
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -175.737870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.737870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.737870 (E_RNA)
where:
Base-Base interactions energy: -112.865
where: short stacking energy: -47.578
Base-Backbone interact. energy: -1.428
local terms energy: -61.445600
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -194.893854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.893854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.893854 (E_RNA)
where:
Base-Base interactions energy: -117.111
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.012
local terms energy: -77.770281
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -20.086
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: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -95.920807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.920807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.920807 (E_RNA)
where:
Base-Base interactions energy: -37.333
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.266
local terms energy: -58.321711
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -8.829
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: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -79.929346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.929346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.929346 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -20.127
Base-Backbone interact. energy: -0.243
local terms energy: -41.389425
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -5.049
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: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -99.467172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.467172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.467172 (E_RNA)
where:
Base-Base interactions energy: -49.305
where: short stacking energy: -31.894
Base-Backbone interact. energy: -0.218
local terms energy: -49.943929
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -244.025818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.025818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.025818 (E_RNA)
where:
Base-Base interactions energy: -168.741
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.131
local terms energy: -75.153482
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -236.837225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.837225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.837225 (E_RNA)
where:
Base-Base interactions energy: -154.806
where: short stacking energy: -77.819
Base-Backbone interact. energy: -0.011
local terms energy: -82.019834
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -9.593
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: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -242.418876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.418876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.418876 (E_RNA)
where:
Base-Base interactions energy: -163.825
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.341
local terms energy: -78.253057
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -17.105
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: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -207.962531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.962531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.962531 (E_RNA)
where:
Base-Base interactions energy: -133.438
where: short stacking energy: -52.394
Base-Backbone interact. energy: -0.399
local terms energy: -74.124675
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -12.443
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: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -195.810337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.810337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.810337 (E_RNA)
where:
Base-Base interactions energy: -130.040
where: short stacking energy: -51.106
Base-Backbone interact. energy: -1.247
local terms energy: -64.522514
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -12.604
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: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -189.635041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.635041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.635041 (E_RNA)
where:
Base-Base interactions energy: -123.849
where: short stacking energy: -62.275
Base-Backbone interact. energy: -0.178
local terms energy: -65.607782
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -172.893578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.893578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.893578 (E_RNA)
where:
Base-Base interactions energy: -104.703
where: short stacking energy: -49.764
Base-Backbone interact. energy: 0.677
local terms energy: -68.867924
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -13.043
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: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -94.883999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.883999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.883999 (E_RNA)
where:
Base-Base interactions energy: -42.450
where: short stacking energy: -39.442
Base-Backbone interact. energy: -0.099
local terms energy: -52.334438
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -2.740
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: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -96.740296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.740296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.740296 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -31.362
Base-Backbone interact. energy: -1.295
local terms energy: -55.572138
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -6.479
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: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -79.893473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.893473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.893473 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -31.184
Base-Backbone interact. energy: -0.294
local terms energy: -46.689174
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -258.287109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.287109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.287109 (E_RNA)
where:
Base-Base interactions energy: -173.386
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.555
local terms energy: -84.345653
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -242.368088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.368088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.368088 (E_RNA)
where:
Base-Base interactions energy: -151.880
where: short stacking energy: -63.546
Base-Backbone interact. energy: -2.074
local terms energy: -88.413845
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -228.580260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.580260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.580260 (E_RNA)
where:
Base-Base interactions energy: -147.938
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.535
local terms energy: -80.107413
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -207.526263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526263 (E_RNA)
where:
Base-Base interactions energy: -134.473
where: short stacking energy: -53.225
Base-Backbone interact. energy: -0.458
local terms energy: -72.595164
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -183.844837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.844837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.844837 (E_RNA)
where:
Base-Base interactions energy: -112.415
where: short stacking energy: -48.845
Base-Backbone interact. energy: -0.262
local terms energy: -71.167948
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -181.159173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.159173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.159173 (E_RNA)
where:
Base-Base interactions energy: -105.444
where: short stacking energy: -52.023
Base-Backbone interact. energy: 1.340
local terms energy: -77.054852
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -171.224140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.224140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.224140 (E_RNA)
where:
Base-Base interactions energy: -106.239
where: short stacking energy: -48.235
Base-Backbone interact. energy: -0.088
local terms energy: -64.897770
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -108.157956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.157956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.157956 (E_RNA)
where:
Base-Base interactions energy: -53.020
where: short stacking energy: -24.821
Base-Backbone interact. energy: 0.241
local terms energy: -55.379486
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.743
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: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -95.909452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.909452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.909452 (E_RNA)
where:
Base-Base interactions energy: -41.082
where: short stacking energy: -28.987
Base-Backbone interact. energy: -0.352
local terms energy: -54.475056
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.618
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: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -80.905852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.905852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.905852 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -22.496
Base-Backbone interact. energy: -0.387
local terms energy: -49.510455
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: 1.691
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)
out arg RESULTS//1/159-VP23-O-4698bbb4_01
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -255.125150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.125150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.125150 (E_RNA)
where:
Base-Base interactions energy: -178.287
where: short stacking energy: -72.861
Base-Backbone interact. energy: -0.394
local terms energy: -76.444084
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -246.803258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.803258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.803258 (E_RNA)
where:
Base-Base interactions energy: -166.549
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.235
local terms energy: -80.019045
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -241.544402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.544402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.544402 (E_RNA)
where:
Base-Base interactions energy: -163.888
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.706
local terms energy: -76.950634
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -222.055298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.055298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.055298 (E_RNA)
where:
Base-Base interactions energy: -150.271
where: short stacking energy: -66.892
Base-Backbone interact. energy: -0.006
local terms energy: -71.777880
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -190.355164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.355164 (E_RNA)
where:
Base-Base interactions energy: -120.234
where: short stacking energy: -61.985
Base-Backbone interact. energy: -0.708
local terms energy: -69.413053
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -13.533
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: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -177.048437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.048437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.048437 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -49.768
Base-Backbone interact. energy: -0.844
local terms energy: -63.963061
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -156.913116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.913116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.913116 (E_RNA)
where:
Base-Base interactions energy: -92.656
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.074
local terms energy: -64.182789
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -84.505905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.505905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.505905 (E_RNA)
where:
Base-Base interactions energy: -32.248
where: short stacking energy: -9.152
Base-Backbone interact. energy: 0.024
local terms energy: -52.282202
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: 1.971
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: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -89.861364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.861364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.861364 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -27.460
Base-Backbone interact. energy: -0.221
local terms energy: -59.660839
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -85.005582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.005582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.005582 (E_RNA)
where:
Base-Base interactions energy: -28.354
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.160
local terms energy: -56.491248
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -5.970
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -248.143487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.143487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.143487 (E_RNA)
where:
Base-Base interactions energy: -169.139
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.535
local terms energy: -78.468850
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -244.630922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.630922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.630922 (E_RNA)
where:
Base-Base interactions energy: -163.100
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.144
local terms energy: -81.387568
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -230.909065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.909065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.909065 (E_RNA)
where:
Base-Base interactions energy: -151.067
where: short stacking energy: -55.055
Base-Backbone interact. energy: 0.744
local terms energy: -80.585639
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -16.160
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: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -211.679008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.679008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.679008 (E_RNA)
where:
Base-Base interactions energy: -133.441
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.001
local terms energy: -78.236959
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -195.952369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.952369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.952369 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -64.089
Base-Backbone interact. energy: -0.047
local terms energy: -78.401432
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -172.000490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.000490 (E_RNA)
where:
Base-Base interactions energy: -105.968
where: short stacking energy: -46.282
Base-Backbone interact. energy: -0.342
local terms energy: -65.690692
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.812
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: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -179.366351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.366351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.366351 (E_RNA)
where:
Base-Base interactions energy: -105.795
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.025
local terms energy: -73.546113
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -87.512375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.512375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.512375 (E_RNA)
where:
Base-Base interactions energy: -39.196
where: short stacking energy: -35.636
Base-Backbone interact. energy: -0.057
local terms energy: -48.259360
where:
bonds (distance) C4'-P energy: -7.599
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -0.776
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: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -78.547484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.547484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.547484 (E_RNA)
where:
Base-Base interactions energy: -26.618
where: short stacking energy: -26.513
Base-Backbone interact. energy: -0.707
local terms energy: -51.222325
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: 1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -93.328528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.328528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.328528 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -27.359
Base-Backbone interact. energy: -1.379
local terms energy: -50.728883
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -0.864
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE