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/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Scientist-4ef75c2c/inputs/seq.fa: 1
curr_seq: _GACGACGACGACGACGACGAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACGACGACGACGACGACGAC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -78.118794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118794 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -122.936102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.936102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.936102 (E_RNA)
where:
Base-Base interactions energy: -57.579
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.160
local terms energy: -65.196500
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -13.856
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: 2
Temperature: 0.950000
Total energy: -166.113466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113466 (E_RNA)
where:
Base-Base interactions energy: -95.643
where: short stacking energy: -57.506
Base-Backbone interact. energy: -1.089
local terms energy: -69.381139
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -120.849106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.849106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.849106 (E_RNA)
where:
Base-Base interactions energy: -58.029
where: short stacking energy: -58.029
Base-Backbone interact. energy: -0.162
local terms energy: -62.657531
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.852
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -114.669913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.669913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.669913 (E_RNA)
where:
Base-Base interactions energy: -53.285
where: short stacking energy: -50.549
Base-Backbone interact. energy: -0.133
local terms energy: -61.251628
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -108.641140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.641140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.641140 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -44.242
Base-Backbone interact. energy: -0.048
local terms energy: -63.532243
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -96.973122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.973122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.973122 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -36.572
Base-Backbone interact. energy: -0.093
local terms energy: -56.504511
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -102.022337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.022337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.022337 (E_RNA)
where:
Base-Base interactions energy: -45.081
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.061
local terms energy: -56.880831
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -78.073969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.073969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.073969 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -24.873
Base-Backbone interact. energy: -0.102
local terms energy: -45.408122
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: 3.193
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -77.003510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.003510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.003510 (E_RNA)
where:
Base-Base interactions energy: 0.064
where: short stacking energy: 0.064
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -81.553114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553114 (E_RNA)
where:
Base-Base interactions energy: -33.614
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.038
local terms energy: -47.901557
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -131.856274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.856274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.856274 (E_RNA)
where:
Base-Base interactions energy: -71.046
where: short stacking energy: -38.037
Base-Backbone interact. energy: -1.077
local terms energy: -59.732727
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -152.663216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.663216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.663216 (E_RNA)
where:
Base-Base interactions energy: -90.313
where: short stacking energy: -50.286
Base-Backbone interact. energy: -0.013
local terms energy: -62.337391
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -12.731
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -115.295805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.295805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.295805 (E_RNA)
where:
Base-Base interactions energy: -56.225
where: short stacking energy: -35.195
Base-Backbone interact. energy: -0.147
local terms energy: -58.924694
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -7.941
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -113.616166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.616166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.616166 (E_RNA)
where:
Base-Base interactions energy: -47.210
where: short stacking energy: -47.210
Base-Backbone interact. energy: -0.018
local terms energy: -66.389068
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -97.896288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.896288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.896288 (E_RNA)
where:
Base-Base interactions energy: -35.675
where: short stacking energy: -28.231
Base-Backbone interact. energy: -0.143
local terms energy: -62.078226
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -97.490965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.490965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.490965 (E_RNA)
where:
Base-Base interactions energy: -46.774
where: short stacking energy: -30.643
Base-Backbone interact. energy: -0.217
local terms energy: -50.499920
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -84.782815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782815 (E_RNA)
where:
Base-Base interactions energy: -32.431
where: short stacking energy: -32.431
Base-Backbone interact. energy: -0.223
local terms energy: -52.128242
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -90.691923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.691923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.691923 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -27.226
Base-Backbone interact. energy: 0.425
local terms energy: -50.093048
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -82.668358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.668358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.668358 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -35.108
Base-Backbone interact. energy: -0.155
local terms energy: -47.405128
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -1.557
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -76.869669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.869669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.869669 (E_RNA)
where:
Base-Base interactions energy: -21.053
where: short stacking energy: -18.962
Base-Backbone interact. energy: -0.660
local terms energy: -55.156374
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -159.298239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.298239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.298239 (E_RNA)
where:
Base-Base interactions energy: -86.603
where: short stacking energy: -55.414
Base-Backbone interact. energy: -0.006
local terms energy: -72.689305
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -150.801436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.801436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.801436 (E_RNA)
where:
Base-Base interactions energy: -76.559
where: short stacking energy: -54.103
Base-Backbone interact. energy: -2.239
local terms energy: -72.003930
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -13.916
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: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -124.198630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.198630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.198630 (E_RNA)
where:
Base-Base interactions energy: -66.196
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.713
local terms energy: -57.290179
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -5.494
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: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -114.505537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.505537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.505537 (E_RNA)
where:
Base-Base interactions energy: -49.354
where: short stacking energy: -49.354
Base-Backbone interact. energy: 0.631
local terms energy: -65.781888
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -111.907794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.907794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.907794 (E_RNA)
where:
Base-Base interactions energy: -47.205
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.022
local terms energy: -64.680987
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -100.022879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022879 (E_RNA)
where:
Base-Base interactions energy: -40.366
where: short stacking energy: -40.366
Base-Backbone interact. energy: -0.091
local terms energy: -59.565933
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -115.933141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.933141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.933141 (E_RNA)
where:
Base-Base interactions energy: -59.483
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.111
local terms energy: -56.339237
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -78.746074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.746074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.746074 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -29.678
Base-Backbone interact. energy: -0.388
local terms energy: -47.598883
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -91.455740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.455740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.455740 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.010
local terms energy: -59.474265
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -69.882678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.882678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.882678 (E_RNA)
where:
Base-Base interactions energy: -29.054
where: short stacking energy: -16.370
Base-Backbone interact. energy: -0.409
local terms energy: -40.419085
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: 6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -186.056114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.056114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.056114 (E_RNA)
where:
Base-Base interactions energy: -116.012
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.086
local terms energy: -69.957601
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.032
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: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -140.108874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.108874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.108874 (E_RNA)
where:
Base-Base interactions energy: -65.632
where: short stacking energy: -52.811
Base-Backbone interact. energy: -0.576
local terms energy: -73.901087
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -139.864771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.864771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.864771 (E_RNA)
where:
Base-Base interactions energy: -84.316
where: short stacking energy: -42.754
Base-Backbone interact. energy: 2.133
local terms energy: -57.681454
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -110.455435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.455435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.455435 (E_RNA)
where:
Base-Base interactions energy: -51.229
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.037
local terms energy: -59.189426
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -103.926963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.926963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.926963 (E_RNA)
where:
Base-Base interactions energy: -50.745
where: short stacking energy: -46.794
Base-Backbone interact. energy: -0.156
local terms energy: -53.026153
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -8.453
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -94.426722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.426722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.426722 (E_RNA)
where:
Base-Base interactions energy: -43.413
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.232
local terms energy: -50.781551
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -97.503939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.503939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.503939 (E_RNA)
where:
Base-Base interactions energy: -37.776
where: short stacking energy: -37.776
Base-Backbone interact. energy: -0.085
local terms energy: -59.643271
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -84.616907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.616907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.616907 (E_RNA)
where:
Base-Base interactions energy: -28.526
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.294
local terms energy: -55.796506
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -81.068174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.068174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.068174 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -35.543
Base-Backbone interact. energy: -0.393
local terms energy: -40.318511
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -5.470
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: 5
Temperature: 1.350000
Total energy: -92.037358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.037358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.037358 (E_RNA)
where:
Base-Base interactions energy: -47.956
where: short stacking energy: -25.989
Base-Backbone interact. energy: -0.082
local terms energy: -43.999621
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -1.406
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: 6
Temperature: 0.900000
Total energy: -196.252354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.252354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.252354 (E_RNA)
where:
Base-Base interactions energy: -125.725
where: short stacking energy: -65.900
Base-Backbone interact. energy: -0.085
local terms energy: -70.442739
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -11.555
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -147.669582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.669582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.669582 (E_RNA)
where:
Base-Base interactions energy: -81.454
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.098
local terms energy: -66.118320
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -147.699585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.699585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.699585 (E_RNA)
where:
Base-Base interactions energy: -85.943
where: short stacking energy: -56.818
Base-Backbone interact. energy: 0.128
local terms energy: -61.884267
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -118.346817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.346817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.346817 (E_RNA)
where:
Base-Base interactions energy: -59.509
where: short stacking energy: -32.832
Base-Backbone interact. energy: -0.301
local terms energy: -58.536670
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -98.563567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.563567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.563567 (E_RNA)
where:
Base-Base interactions energy: -48.074
where: short stacking energy: -38.719
Base-Backbone interact. energy: -0.114
local terms energy: -50.374930
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -3.742
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: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -109.047191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.047191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.047191 (E_RNA)
where:
Base-Base interactions energy: -53.473
where: short stacking energy: -39.510
Base-Backbone interact. energy: -0.123
local terms energy: -55.451570
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -105.417857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.417857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.417857 (E_RNA)
where:
Base-Base interactions energy: -59.672
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.932
local terms energy: -44.813904
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -5.092
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -85.216189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.216189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.216189 (E_RNA)
where:
Base-Base interactions energy: -31.910
where: short stacking energy: -24.039
Base-Backbone interact. energy: -0.310
local terms energy: -52.996336
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -79.125297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.125297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.125297 (E_RNA)
where:
Base-Base interactions energy: -36.742
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.038
local terms energy: -42.345127
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -68.953963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.953963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.953963 (E_RNA)
where:
Base-Base interactions energy: -22.170
where: short stacking energy: -21.495
Base-Backbone interact. energy: -0.217
local terms energy: -46.566862
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -3.203
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -216.970885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.970885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.970885 (E_RNA)
where:
Base-Base interactions energy: -142.135
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.001
local terms energy: -74.834843
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -169.904562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.904562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.904562 (E_RNA)
where:
Base-Base interactions energy: -98.594
where: short stacking energy: -52.304
Base-Backbone interact. energy: -0.053
local terms energy: -71.257582
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -159.997168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.997168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.997168 (E_RNA)
where:
Base-Base interactions energy: -91.444
where: short stacking energy: -51.843
Base-Backbone interact. energy: -0.009
local terms energy: -68.543680
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -12.910
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: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -96.969019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.969019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.969019 (E_RNA)
where:
Base-Base interactions energy: -39.956
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.654
local terms energy: -56.358657
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -3.622
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: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -110.827236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.827236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.827236 (E_RNA)
where:
Base-Base interactions energy: -47.816
where: short stacking energy: -47.816
Base-Backbone interact. energy: -0.347
local terms energy: -62.664022
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -13.713
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -128.781492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.781492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.781492 (E_RNA)
where:
Base-Base interactions energy: -72.040
where: short stacking energy: -36.116
Base-Backbone interact. energy: -0.187
local terms energy: -56.554953
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -6.130
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: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -92.122691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.122691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.122691 (E_RNA)
where:
Base-Base interactions energy: -37.510
where: short stacking energy: -29.576
Base-Backbone interact. energy: -0.127
local terms energy: -54.486030
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -91.842893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.842893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.842893 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -33.429
Base-Backbone interact. energy: 2.095
local terms energy: -59.345757
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -9.985
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: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -79.296866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.296866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.296866 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -22.569
Base-Backbone interact. energy: 0.953
local terms energy: -45.328441
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -5.687
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -68.925336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.925336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.925336 (E_RNA)
where:
Base-Base interactions energy: -21.005
where: short stacking energy: -21.005
Base-Backbone interact. energy: -0.063
local terms energy: -47.856801
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -229.281095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.281095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.281095 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.002
local terms energy: -81.689432
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -10.056
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -183.868082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.868082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.868082 (E_RNA)
where:
Base-Base interactions energy: -111.937
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.042
local terms energy: -71.888262
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -161.931971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.931971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.931971 (E_RNA)
where:
Base-Base interactions energy: -91.456
where: short stacking energy: -53.592
Base-Backbone interact. energy: -0.003
local terms energy: -70.473409
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -119.283183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.283183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.283183 (E_RNA)
where:
Base-Base interactions energy: -57.898
where: short stacking energy: -44.256
Base-Backbone interact. energy: -0.027
local terms energy: -61.358376
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -151.789015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.789015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.789015 (E_RNA)
where:
Base-Base interactions energy: -95.363
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.073
local terms energy: -56.353202
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -100.052453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.052453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.052453 (E_RNA)
where:
Base-Base interactions energy: -45.295
where: short stacking energy: -30.060
Base-Backbone interact. energy: -0.295
local terms energy: -54.461547
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -91.684162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.684162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.684162 (E_RNA)
where:
Base-Base interactions energy: -32.987
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.127
local terms energy: -58.570800
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -6.664
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: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -82.379230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.379230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.379230 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -32.050
Base-Backbone interact. energy: -0.689
local terms energy: -49.640221
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -8.488
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -73.052662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.052662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.052662 (E_RNA)
where:
Base-Base interactions energy: -25.807
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.091
local terms energy: -47.154186
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -84.975373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.975373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.975373 (E_RNA)
where:
Base-Base interactions energy: -26.773
where: short stacking energy: -26.773
Base-Backbone interact. energy: -0.001
local terms energy: -58.201330
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -238.710234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.710234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.710234 (E_RNA)
where:
Base-Base interactions energy: -161.717
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.003
local terms energy: -76.990431
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -179.562852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.562852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.562852 (E_RNA)
where:
Base-Base interactions energy: -104.695
where: short stacking energy: -62.135
Base-Backbone interact. energy: -0.015
local terms energy: -74.853654
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -10.917
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: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -161.369546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.369546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.369546 (E_RNA)
where:
Base-Base interactions energy: -88.093
where: short stacking energy: -50.441
Base-Backbone interact. energy: -0.013
local terms energy: -73.262924
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -14.384
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: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -153.502191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.502191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.502191 (E_RNA)
where:
Base-Base interactions energy: -98.035
where: short stacking energy: -43.528
Base-Backbone interact. energy: -0.166
local terms energy: -55.301201
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -114.036488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036488 (E_RNA)
where:
Base-Base interactions energy: -56.026
where: short stacking energy: -45.945
Base-Backbone interact. energy: -0.002
local terms energy: -58.009305
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -99.771173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.771173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.771173 (E_RNA)
where:
Base-Base interactions energy: -39.972
where: short stacking energy: -31.267
Base-Backbone interact. energy: -0.167
local terms energy: -59.632014
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -101.603063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.603063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.603063 (E_RNA)
where:
Base-Base interactions energy: -45.134
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.319
local terms energy: -56.150046
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -82.437822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437822 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.068
local terms energy: -50.645926
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -4.680
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: 9
Temperature: 1.300000
Total energy: -75.537512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.537512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.537512 (E_RNA)
where:
Base-Base interactions energy: -27.603
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.148
local terms energy: -47.786469
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -5.211
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: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -79.395055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.395055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.395055 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.172
local terms energy: -47.548886
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -236.395655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.395655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.395655 (E_RNA)
where:
Base-Base interactions energy: -159.308
where: short stacking energy: -74.563
Base-Backbone interact. energy: 0.422
local terms energy: -77.509312
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -21.426
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: 10
Temperature: 0.950000
Total energy: -154.962002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.962002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.962002 (E_RNA)
where:
Base-Base interactions energy: -97.091
where: short stacking energy: -44.631
Base-Backbone interact. energy: -0.063
local terms energy: -57.807809
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -167.654306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.654306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.654306 (E_RNA)
where:
Base-Base interactions energy: -102.063
where: short stacking energy: -46.583
Base-Backbone interact. energy: -0.421
local terms energy: -65.170714
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -154.307896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.307896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.307896 (E_RNA)
where:
Base-Base interactions energy: -93.132
where: short stacking energy: -50.072
Base-Backbone interact. energy: -0.178
local terms energy: -60.997166
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -108.460544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.460544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.460544 (E_RNA)
where:
Base-Base interactions energy: -48.578
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.213
local terms energy: -59.669281
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -89.069109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.069109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.069109 (E_RNA)
where:
Base-Base interactions energy: -39.359
where: short stacking energy: -28.570
Base-Backbone interact. energy: -0.131
local terms energy: -49.578802
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -2.080
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: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -94.617917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.617917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.617917 (E_RNA)
where:
Base-Base interactions energy: -40.706
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.035
local terms energy: -53.876905
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -5.205
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: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -102.532450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.532450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.532450 (E_RNA)
where:
Base-Base interactions energy: -48.478
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.025
local terms energy: -54.028948
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -3.371
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: 10
Temperature: 1.300000
Total energy: -83.160229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.160229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.160229 (E_RNA)
where:
Base-Base interactions energy: -37.206
where: short stacking energy: -26.459
Base-Backbone interact. energy: -0.508
local terms energy: -45.446150
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -78.512457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.512457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.512457 (E_RNA)
where:
Base-Base interactions energy: -23.718
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.326
local terms energy: -54.469176
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -1.357
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: 11
Temperature: 0.900000
Total energy: -230.557168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.557168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.557168 (E_RNA)
where:
Base-Base interactions energy: -154.231
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.533
local terms energy: -75.793044
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -169.660921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.660921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.660921 (E_RNA)
where:
Base-Base interactions energy: -104.081
where: short stacking energy: -41.516
Base-Backbone interact. energy: -0.968
local terms energy: -64.611867
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -175.715839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.715839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.715839 (E_RNA)
where:
Base-Base interactions energy: -105.808
where: short stacking energy: -54.501
Base-Backbone interact. energy: -0.084
local terms energy: -69.823340
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -156.700653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.700653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.700653 (E_RNA)
where:
Base-Base interactions energy: -90.145
where: short stacking energy: -50.874
Base-Backbone interact. energy: -0.039
local terms energy: -66.516742
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -6.636
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: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -147.706028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.706028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.706028 (E_RNA)
where:
Base-Base interactions energy: -81.264
where: short stacking energy: -44.956
Base-Backbone interact. energy: -0.190
local terms energy: -66.251326
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -92.307925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.307925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.307925 (E_RNA)
where:
Base-Base interactions energy: -36.368
where: short stacking energy: -36.368
Base-Backbone interact. energy: -0.118
local terms energy: -55.822142
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -2.087
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: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -100.974929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.974929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.974929 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.019
local terms energy: -68.679845
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -96.921007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.921007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.921007 (E_RNA)
where:
Base-Base interactions energy: -50.932
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.076
local terms energy: -45.912937
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -76.045754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.045754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.045754 (E_RNA)
where:
Base-Base interactions energy: -26.106
where: short stacking energy: -26.106
Base-Backbone interact. energy: -0.086
local terms energy: -49.854287
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -2.182
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: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -76.822726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.822726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.822726 (E_RNA)
where:
Base-Base interactions energy: -40.126
where: short stacking energy: -29.411
Base-Backbone interact. energy: -0.647
local terms energy: -36.049775
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -6.157
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -228.529292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.529292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.529292 (E_RNA)
where:
Base-Base interactions energy: -147.754
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.001
local terms energy: -80.774932
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -173.749095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.749095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.749095 (E_RNA)
where:
Base-Base interactions energy: -105.378
where: short stacking energy: -47.895
Base-Backbone interact. energy: -0.431
local terms energy: -67.940162
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -167.293573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.293573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.293573 (E_RNA)
where:
Base-Base interactions energy: -99.287
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.012
local terms energy: -67.994251
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -14.728
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -155.242770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.242770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.242770 (E_RNA)
where:
Base-Base interactions energy: -86.689
where: short stacking energy: -46.216
Base-Backbone interact. energy: -0.004
local terms energy: -68.549916
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -13.708
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: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -144.487563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.487563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.487563 (E_RNA)
where:
Base-Base interactions energy: -80.097
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.167
local terms energy: -64.223251
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -94.730136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.730136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.730136 (E_RNA)
where:
Base-Base interactions energy: -45.168
where: short stacking energy: -42.492
Base-Backbone interact. energy: 1.181
local terms energy: -50.743663
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -94.939449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.939449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.939449 (E_RNA)
where:
Base-Base interactions energy: -34.586
where: short stacking energy: -33.252
Base-Backbone interact. energy: -0.710
local terms energy: -59.643594
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -85.800215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800215 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -24.795
Base-Backbone interact. energy: 0.571
local terms energy: -51.979516
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -80.828369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.828369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.828369 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -17.167
Base-Backbone interact. energy: 0.568
local terms energy: -46.770119
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -84.726641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.726641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.726641 (E_RNA)
where:
Base-Base interactions energy: -41.621
where: short stacking energy: -33.142
Base-Backbone interact. energy: -0.131
local terms energy: -42.974067
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -6.798
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -230.236122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.236122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.236122 (E_RNA)
where:
Base-Base interactions energy: -153.540
where: short stacking energy: -70.611
Base-Backbone interact. energy: 0.238
local terms energy: -76.934033
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.643
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: 2, replica: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -165.966746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.966746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.966746 (E_RNA)
where:
Base-Base interactions energy: -96.933
where: short stacking energy: -44.854
Base-Backbone interact. energy: -0.555
local terms energy: -68.478594
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -172.552939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.552939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.552939 (E_RNA)
where:
Base-Base interactions energy: -104.368
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.023
local terms energy: -68.162014
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -10.323
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -162.038285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.038285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.038285 (E_RNA)
where:
Base-Base interactions energy: -103.307
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.044
local terms energy: -58.687977
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -8.169
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: 13
Temperature: 1.100000
Total energy: -136.274290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.274290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.274290 (E_RNA)
where:
Base-Base interactions energy: -84.692
where: short stacking energy: -35.189
Base-Backbone interact. energy: -1.069
local terms energy: -50.513371
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -8.223
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: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -95.757700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.757700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.757700 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -31.093
Base-Backbone interact. energy: -0.022
local terms energy: -56.401553
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -97.269932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.269932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.269932 (E_RNA)
where:
Base-Base interactions energy: -40.128
where: short stacking energy: -38.259
Base-Backbone interact. energy: -0.999
local terms energy: -56.143059
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -12.089
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: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -90.769853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.769853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.769853 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.090
local terms energy: -55.067560
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -3.832
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: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -108.735290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.735290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.735290 (E_RNA)
where:
Base-Base interactions energy: -57.392
where: short stacking energy: -33.497
Base-Backbone interact. energy: -0.110
local terms energy: -51.234084
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -86.304250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.304250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.304250 (E_RNA)
where:
Base-Base interactions energy: -37.599
where: short stacking energy: -35.835
Base-Backbone interact. energy: -0.136
local terms energy: -48.570170
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -242.705585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.705585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.705585 (E_RNA)
where:
Base-Base interactions energy: -161.431
where: short stacking energy: -76.314
Base-Backbone interact. energy: -0.002
local terms energy: -81.273218
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -24.045
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: 2, replica: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -169.812394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.812394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.812394 (E_RNA)
where:
Base-Base interactions energy: -101.509
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.303
local terms energy: -68.000242
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -11.522
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: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -176.170596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.170596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.170596 (E_RNA)
where:
Base-Base interactions energy: -109.404
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.002
local terms energy: -66.763994
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -170.797532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.797532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.797532 (E_RNA)
where:
Base-Base interactions energy: -99.998
where: short stacking energy: -49.806
Base-Backbone interact. energy: 0.847
local terms energy: -71.646036
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -139.285120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.285120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.285120 (E_RNA)
where:
Base-Base interactions energy: -79.608
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.169
local terms energy: -59.507825
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -97.134170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.134170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.134170 (E_RNA)
where:
Base-Base interactions energy: -43.939
where: short stacking energy: -38.148
Base-Backbone interact. energy: -0.122
local terms energy: -53.073287
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -90.992558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.992558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.992558 (E_RNA)
where:
Base-Base interactions energy: -30.103
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.041
local terms energy: -60.848604
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -84.816111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.816111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.816111 (E_RNA)
where:
Base-Base interactions energy: -31.964
where: short stacking energy: -31.964
Base-Backbone interact. energy: -0.168
local terms energy: -52.684597
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -75.505749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.505749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.505749 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -27.523
Base-Backbone interact. energy: -0.094
local terms energy: -47.889678
where:
bonds (distance) C4'-P energy: -6.825
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -74.651241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.651241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.651241 (E_RNA)
where:
Base-Base interactions energy: -23.436
where: short stacking energy: -19.748
Base-Backbone interact. energy: -0.237
local terms energy: -50.978077
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -233.150296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.150296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.150296 (E_RNA)
where:
Base-Base interactions energy: -155.214
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.136
local terms energy: -77.799830
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -170.242377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.242377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.242377 (E_RNA)
where:
Base-Base interactions energy: -103.731
where: short stacking energy: -50.755
Base-Backbone interact. energy: -0.266
local terms energy: -66.245735
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -168.696146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.696146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.696146 (E_RNA)
where:
Base-Base interactions energy: -101.377
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.007
local terms energy: -67.312295
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -12.038
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: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -145.783004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.783004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.783004 (E_RNA)
where:
Base-Base interactions energy: -84.517
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.049
local terms energy: -61.216466
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -11.411
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: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -112.338345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.338345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.338345 (E_RNA)
where:
Base-Base interactions energy: -64.666
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.281
local terms energy: -47.391620
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -9.223
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: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -98.704496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.704496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.704496 (E_RNA)
where:
Base-Base interactions energy: -41.734
where: short stacking energy: -41.734
Base-Backbone interact. energy: -0.166
local terms energy: -56.803746
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -6.362
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -98.199475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.199475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.199475 (E_RNA)
where:
Base-Base interactions energy: -55.645
where: short stacking energy: -38.983
Base-Backbone interact. energy: -0.396
local terms energy: -42.158377
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: 4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -87.543360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.543360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.543360 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -29.735
Base-Backbone interact. energy: -0.260
local terms energy: -52.255634
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -78.351444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.351444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.351444 (E_RNA)
where:
Base-Base interactions energy: -29.906
where: short stacking energy: -29.451
Base-Backbone interact. energy: -0.024
local terms energy: -48.421280
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -6.507
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: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -67.747127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.747127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.747127 (E_RNA)
where:
Base-Base interactions energy: -12.895
where: short stacking energy: -13.192
Base-Backbone interact. energy: -0.049
local terms energy: -54.803382
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -236.675095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.675095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.675095 (E_RNA)
where:
Base-Base interactions energy: -157.570
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.251
local terms energy: -78.854389
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -20.555
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: 10
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -173.802537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.802537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.802537 (E_RNA)
where:
Base-Base interactions energy: -107.001
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.185
local terms energy: -66.617041
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -161.752717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.752717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.752717 (E_RNA)
where:
Base-Base interactions energy: -95.050
where: short stacking energy: -50.341
Base-Backbone interact. energy: -0.008
local terms energy: -66.694087
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -164.170960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.170960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.170960 (E_RNA)
where:
Base-Base interactions energy: -95.153
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.948
local terms energy: -68.069682
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -156.157428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.157428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.157428 (E_RNA)
where:
Base-Base interactions energy: -89.493
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.024
local terms energy: -66.640384
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -13.499
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: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -98.850111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.850111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.850111 (E_RNA)
where:
Base-Base interactions energy: -47.092
where: short stacking energy: -47.092
Base-Backbone interact. energy: -0.026
local terms energy: -51.731942
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -3.801
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: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -84.107407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.107407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.107407 (E_RNA)
where:
Base-Base interactions energy: -33.845
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.011
local terms energy: -50.251036
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -6.460
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: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -78.877142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.877142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.877142 (E_RNA)
where:
Base-Base interactions energy: -25.190
where: short stacking energy: -18.393
Base-Backbone interact. energy: 1.827
local terms energy: -55.514505
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -4.812
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: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -84.666382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.666382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.666382 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.099
local terms energy: -53.133915
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -77.853722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.853722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.853722 (E_RNA)
where:
Base-Base interactions energy: -29.219
where: short stacking energy: -25.125
Base-Backbone interact. energy: -0.285
local terms energy: -48.348913
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -10.334
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: 17
Temperature: 0.900000
Total energy: -234.953739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.953739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.953739 (E_RNA)
where:
Base-Base interactions energy: -155.871
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.002
local terms energy: -79.081448
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -165.450767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.450767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.450767 (E_RNA)
where:
Base-Base interactions energy: -97.765
where: short stacking energy: -56.107
Base-Backbone interact. energy: -0.101
local terms energy: -67.584466
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -168.062768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.062768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.062768 (E_RNA)
where:
Base-Base interactions energy: -108.393
where: short stacking energy: -38.635
Base-Backbone interact. energy: -0.669
local terms energy: -59.000267
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.684
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: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -157.628658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.628658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.628658 (E_RNA)
where:
Base-Base interactions energy: -92.168
where: short stacking energy: -49.391
Base-Backbone interact. energy: -0.053
local terms energy: -65.407183
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -161.554683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.554683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.554683 (E_RNA)
where:
Base-Base interactions energy: -89.682
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.003
local terms energy: -71.870245
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.923
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: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -103.642306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.642306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.642306 (E_RNA)
where:
Base-Base interactions energy: -46.199
where: short stacking energy: -45.439
Base-Backbone interact. energy: -0.009
local terms energy: -57.433902
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -110.104635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.104635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.104635 (E_RNA)
where:
Base-Base interactions energy: -52.586
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.411
local terms energy: -57.107275
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -118.262675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.262675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.262675 (E_RNA)
where:
Base-Base interactions energy: -60.527
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.259
local terms energy: -57.476596
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -90.300042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.300042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.300042 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -32.952
Base-Backbone interact. energy: -0.040
local terms energy: -53.436707
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -87.413198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.413198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.413198 (E_RNA)
where:
Base-Base interactions energy: -31.118
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.302
local terms energy: -55.993281
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: 0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -236.445303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.445303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.445303 (E_RNA)
where:
Base-Base interactions energy: -159.662
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.611
local terms energy: -76.172810
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -21.887
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -172.775492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.775492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.775492 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.393
local terms energy: -60.157838
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -13.052
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: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -181.493396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.493396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.493396 (E_RNA)
where:
Base-Base interactions energy: -117.277
where: short stacking energy: -62.707
Base-Backbone interact. energy: -0.081
local terms energy: -64.135265
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -173.516036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.516036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.516036 (E_RNA)
where:
Base-Base interactions energy: -105.641
where: short stacking energy: -47.289
Base-Backbone interact. energy: -0.084
local terms energy: -67.791126
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -15.049
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: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -153.627550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.627550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.627550 (E_RNA)
where:
Base-Base interactions energy: -98.888
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.088
local terms energy: -54.651407
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -98.984327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.984327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.984327 (E_RNA)
where:
Base-Base interactions energy: -43.387
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.914
local terms energy: -54.683390
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -91.677365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.677365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.677365 (E_RNA)
where:
Base-Base interactions energy: -36.803
where: short stacking energy: -35.446
Base-Backbone interact. energy: -0.158
local terms energy: -54.716973
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -84.849828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.849828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.849828 (E_RNA)
where:
Base-Base interactions energy: -27.110
where: short stacking energy: -27.110
Base-Backbone interact. energy: -0.287
local terms energy: -57.452270
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -7.108
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: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -77.331949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.331949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.331949 (E_RNA)
where:
Base-Base interactions energy: -33.912
where: short stacking energy: -13.207
Base-Backbone interact. energy: 1.498
local terms energy: -44.917637
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -7.202
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -0.261
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: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -69.450807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.450807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.450807 (E_RNA)
where:
Base-Base interactions energy: -21.454
where: short stacking energy: -21.454
Base-Backbone interact. energy: 0.305
local terms energy: -48.300935
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -8.897
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: 19
Temperature: 0.900000
Total energy: -231.625769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.625769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.625769 (E_RNA)
where:
Base-Base interactions energy: -148.405
where: short stacking energy: -74.546
Base-Backbone interact. energy: -0.004
local terms energy: -83.216523
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -187.047184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.047184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.047184 (E_RNA)
where:
Base-Base interactions energy: -113.640
where: short stacking energy: -63.424
Base-Backbone interact. energy: -0.099
local terms energy: -73.308273
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -186.204966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.204966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.204966 (E_RNA)
where:
Base-Base interactions energy: -119.239
where: short stacking energy: -52.174
Base-Backbone interact. energy: -0.263
local terms energy: -66.702811
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -148.864751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.864751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.864751 (E_RNA)
where:
Base-Base interactions energy: -90.804
where: short stacking energy: -32.197
Base-Backbone interact. energy: -0.626
local terms energy: -57.434107
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.812
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: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -95.697783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.697783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.697783 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.105
local terms energy: -56.770508
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -11.500
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: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -93.983277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.983277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.983277 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -29.505
Base-Backbone interact. energy: -0.081
local terms energy: -53.248472
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -3.328
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: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -81.702952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.702952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.702952 (E_RNA)
where:
Base-Base interactions energy: -35.813
where: short stacking energy: -18.141
Base-Backbone interact. energy: -0.154
local terms energy: -45.736139
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -3.224
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: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -88.757054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.757054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.757054 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.223
local terms energy: -51.234542
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -81.627774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.627774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.627774 (E_RNA)
where:
Base-Base interactions energy: -38.666
where: short stacking energy: -38.593
Base-Backbone interact. energy: -0.315
local terms energy: -42.646288
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -0.822
tors. eta vs tors. theta energy: -7.014
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: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -75.356169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.356169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.356169 (E_RNA)
where:
Base-Base interactions energy: -23.041
where: short stacking energy: -22.485
Base-Backbone interact. energy: -0.481
local terms energy: -51.834647
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.992
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -235.969356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.969356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.969356 (E_RNA)
where:
Base-Base interactions energy: -156.340
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.012
local terms energy: -79.616654
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -172.547384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.547384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.547384 (E_RNA)
where:
Base-Base interactions energy: -95.988
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.021
local terms energy: -76.537968
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -150.486661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.486661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.486661 (E_RNA)
where:
Base-Base interactions energy: -85.992
where: short stacking energy: -45.477
Base-Backbone interact. energy: 0.329
local terms energy: -64.824054
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -176.567565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.567565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.567565 (E_RNA)
where:
Base-Base interactions energy: -117.643
where: short stacking energy: -54.385
Base-Backbone interact. energy: 1.884
local terms energy: -60.808313
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -9.719
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: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -140.883402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.883402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.883402 (E_RNA)
where:
Base-Base interactions energy: -80.977
where: short stacking energy: -46.402
Base-Backbone interact. energy: -0.591
local terms energy: -59.315064
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -83.039390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.039390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.039390 (E_RNA)
where:
Base-Base interactions energy: -30.713
where: short stacking energy: -30.713
Base-Backbone interact. energy: 0.791
local terms energy: -53.117557
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -3.716
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: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -94.875056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.875056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.875056 (E_RNA)
where:
Base-Base interactions energy: -51.030
where: short stacking energy: -22.077
Base-Backbone interact. energy: -0.960
local terms energy: -42.885404
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -1.930
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -89.753583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.753583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.753583 (E_RNA)
where:
Base-Base interactions energy: -37.343
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.101
local terms energy: -52.309522
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -74.691828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.691828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.691828 (E_RNA)
where:
Base-Base interactions energy: -17.020
where: short stacking energy: -17.020
Base-Backbone interact. energy: -0.096
local terms energy: -57.575878
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -3.808
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: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -73.667217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.667217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.667217 (E_RNA)
where:
Base-Base interactions energy: -34.436
where: short stacking energy: -29.069
Base-Backbone interact. energy: -0.223
local terms energy: -39.007875
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -0.369
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -232.055753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.055753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.055753 (E_RNA)
where:
Base-Base interactions energy: -159.258
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.038
local terms energy: -72.760342
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.145
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: 9
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -165.358964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.358964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.358964 (E_RNA)
where:
Base-Base interactions energy: -94.225
where: short stacking energy: -53.307
Base-Backbone interact. energy: -0.041
local terms energy: -71.092760
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -142.581019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.581019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.581019 (E_RNA)
where:
Base-Base interactions energy: -83.153
where: short stacking energy: -56.048
Base-Backbone interact. energy: -0.005
local terms energy: -59.423598
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -182.008940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.008940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.008940 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -52.591
Base-Backbone interact. energy: -1.286
local terms energy: -72.816202
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -133.336425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.336425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.336425 (E_RNA)
where:
Base-Base interactions energy: -70.591
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.681
local terms energy: -62.064839
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -10.526
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: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -93.850765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.850765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.850765 (E_RNA)
where:
Base-Base interactions energy: -39.368
where: short stacking energy: -36.793
Base-Backbone interact. energy: 1.331
local terms energy: -55.814086
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -8.141
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: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -92.873223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873223 (E_RNA)
where:
Base-Base interactions energy: -32.468
where: short stacking energy: -32.468
Base-Backbone interact. energy: -0.012
local terms energy: -60.393929
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -122.762700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.762700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.762700 (E_RNA)
where:
Base-Base interactions energy: -60.617
where: short stacking energy: -36.727
Base-Backbone interact. energy: -0.518
local terms energy: -61.627503
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -7.658
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: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -79.025226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.025226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.025226 (E_RNA)
where:
Base-Base interactions energy: -32.172
where: short stacking energy: -31.015
Base-Backbone interact. energy: -0.308
local terms energy: -46.544925
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -11.176
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: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -81.787440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.787440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.787440 (E_RNA)
where:
Base-Base interactions energy: -35.994
where: short stacking energy: -18.327
Base-Backbone interact. energy: -0.271
local terms energy: -45.521657
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.435
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: 22
Temperature: 0.900000
Total energy: -228.484780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.484780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.484780 (E_RNA)
where:
Base-Base interactions energy: -151.116
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.009
local terms energy: -77.360132
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -13.913
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: 2, replica: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -168.981334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.981334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.981334 (E_RNA)
where:
Base-Base interactions energy: -96.666
where: short stacking energy: -55.284
Base-Backbone interact. energy: -0.002
local terms energy: -72.312900
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -167.717544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.717544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.717544 (E_RNA)
where:
Base-Base interactions energy: -103.669
where: short stacking energy: -48.018
Base-Backbone interact. energy: -0.380
local terms energy: -63.668391
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -123.982497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.982497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.982497 (E_RNA)
where:
Base-Base interactions energy: -73.778
where: short stacking energy: -42.765
Base-Backbone interact. energy: -0.171
local terms energy: -50.033100
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -116.186754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.186754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.186754 (E_RNA)
where:
Base-Base interactions energy: -49.820
where: short stacking energy: -49.820
Base-Backbone interact. energy: -0.010
local terms energy: -66.356198
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -98.702679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702679 (E_RNA)
where:
Base-Base interactions energy: -42.435
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.617
local terms energy: -55.650683
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -6.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -121.175236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.175236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.175236 (E_RNA)
where:
Base-Base interactions energy: -62.986
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.140
local terms energy: -58.050048
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -90.944914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.944914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.944914 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.005
local terms energy: -56.336763
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -85.472828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.472828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.472828 (E_RNA)
where:
Base-Base interactions energy: -40.445
where: short stacking energy: -36.628
Base-Backbone interact. energy: -0.644
local terms energy: -44.383829
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -74.052855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.052855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.052855 (E_RNA)
where:
Base-Base interactions energy: -26.336
where: short stacking energy: -26.677
Base-Backbone interact. energy: 0.381
local terms energy: -48.097732
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -217.643563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.643563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.643563 (E_RNA)
where:
Base-Base interactions energy: -136.985
where: short stacking energy: -72.660
Base-Backbone interact. energy: -0.027
local terms energy: -80.631227
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -203.603735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.603735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.603735 (E_RNA)
where:
Base-Base interactions energy: -135.237
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.240
local terms energy: -68.127194
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -181.499616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.499616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.499616 (E_RNA)
where:
Base-Base interactions energy: -104.293
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.002
local terms energy: -77.204280
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -121.531518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.531518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.531518 (E_RNA)
where:
Base-Base interactions energy: -55.420
where: short stacking energy: -52.541
Base-Backbone interact. energy: -0.910
local terms energy: -65.201670
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -15.377
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: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -123.517681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.517681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.517681 (E_RNA)
where:
Base-Base interactions energy: -66.098
where: short stacking energy: -44.019
Base-Backbone interact. energy: 2.202
local terms energy: -59.622213
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -99.659763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.659763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.659763 (E_RNA)
where:
Base-Base interactions energy: -44.386
where: short stacking energy: -41.084
Base-Backbone interact. energy: -0.044
local terms energy: -55.229623
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -118.482528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.482528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.482528 (E_RNA)
where:
Base-Base interactions energy: -58.183
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.025
local terms energy: -60.274099
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -81.128171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.128171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.128171 (E_RNA)
where:
Base-Base interactions energy: -44.470
where: short stacking energy: -31.812
Base-Backbone interact. energy: -0.061
local terms energy: -36.596994
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -1.527
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -75.600502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.600502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.600502 (E_RNA)
where:
Base-Base interactions energy: -22.989
where: short stacking energy: -22.628
Base-Backbone interact. energy: -0.222
local terms energy: -52.389605
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -85.184626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.184626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.184626 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -30.118
Base-Backbone interact. energy: 0.044
local terms energy: -51.745299
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -210.513820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.513820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.513820 (E_RNA)
where:
Base-Base interactions energy: -142.953
where: short stacking energy: -66.149
Base-Backbone interact. energy: -0.721
local terms energy: -66.840102
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -216.954973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.954973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.954973 (E_RNA)
where:
Base-Base interactions energy: -142.550
where: short stacking energy: -64.918
Base-Backbone interact. energy: 0.377
local terms energy: -74.781570
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -16.119
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: 24
Temperature: 1.000000
Total energy: -170.636159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.636159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.636159 (E_RNA)
where:
Base-Base interactions energy: -105.978
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.099
local terms energy: -64.559057
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -105.094382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.094382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.094382 (E_RNA)
where:
Base-Base interactions energy: -45.249
where: short stacking energy: -36.043
Base-Backbone interact. energy: -0.252
local terms energy: -59.593440
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -126.893473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.893473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.893473 (E_RNA)
where:
Base-Base interactions energy: -69.238
where: short stacking energy: -42.415
Base-Backbone interact. energy: -0.103
local terms energy: -57.552761
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -92.629083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.629083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.629083 (E_RNA)
where:
Base-Base interactions energy: -36.429
where: short stacking energy: -36.529
Base-Backbone interact. energy: 0.145
local terms energy: -56.344942
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -5.328
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -83.783041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.783041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.783041 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -27.492
Base-Backbone interact. energy: 0.082
local terms energy: -52.072370
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -87.654566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.654566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.654566 (E_RNA)
where:
Base-Base interactions energy: -44.290
where: short stacking energy: -30.968
Base-Backbone interact. energy: -0.528
local terms energy: -42.837098
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -2.191
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -82.800706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.800706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.800706 (E_RNA)
where:
Base-Base interactions energy: -24.641
where: short stacking energy: -24.641
Base-Backbone interact. energy: -0.182
local terms energy: -57.977690
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -11.995
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: 10, replica: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -76.698105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.698105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.698105 (E_RNA)
where:
Base-Base interactions energy: -23.462
where: short stacking energy: -23.462
Base-Backbone interact. energy: 0.618
local terms energy: -53.854851
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -211.141439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141439 (E_RNA)
where:
Base-Base interactions energy: -142.852
where: short stacking energy: -66.885
Base-Backbone interact. energy: -1.819
local terms energy: -66.470832
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -16.752
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: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -223.976159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.976159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.976159 (E_RNA)
where:
Base-Base interactions energy: -145.954
where: short stacking energy: -65.918
Base-Backbone interact. energy: -0.493
local terms energy: -77.528602
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -169.980242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.980242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.980242 (E_RNA)
where:
Base-Base interactions energy: -99.348
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.878
local terms energy: -69.753609
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -141.985398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.985398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.985398 (E_RNA)
where:
Base-Base interactions energy: -88.139
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.682
local terms energy: -53.164481
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -6.063
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -115.106914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.106914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.106914 (E_RNA)
where:
Base-Base interactions energy: -60.409
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.139
local terms energy: -54.559246
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -6.531
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: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -105.852827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.852827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.852827 (E_RNA)
where:
Base-Base interactions energy: -45.277
where: short stacking energy: -43.901
Base-Backbone interact. energy: -0.488
local terms energy: -60.087733
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -104.909127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.909127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.909127 (E_RNA)
where:
Base-Base interactions energy: -49.980
where: short stacking energy: -32.277
Base-Backbone interact. energy: -0.054
local terms energy: -54.875351
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -5.472
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: 25
Temperature: 1.250000
Total energy: -88.691589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691589 (E_RNA)
where:
Base-Base interactions energy: -33.577
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.001
local terms energy: -55.113387
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -11.383
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -89.782297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.782297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.782297 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.330
local terms energy: -59.625884
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -10.541
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: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -80.637827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.637827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.637827 (E_RNA)
where:
Base-Base interactions energy: -28.991
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.286
local terms energy: -51.361488
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -211.611816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.611816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.611816 (E_RNA)
where:
Base-Base interactions energy: -137.252
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.757
local terms energy: -73.603054
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -209.239392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.239392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.239392 (E_RNA)
where:
Base-Base interactions energy: -138.179
where: short stacking energy: -67.934
Base-Backbone interact. energy: 0.100
local terms energy: -71.160269
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -163.182614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.182614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.182614 (E_RNA)
where:
Base-Base interactions energy: -97.315
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.014
local terms energy: -65.854112
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -150.692079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.692079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.692079 (E_RNA)
where:
Base-Base interactions energy: -93.157
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.234
local terms energy: -57.301773
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -139.530011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.530011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.530011 (E_RNA)
where:
Base-Base interactions energy: -74.587
where: short stacking energy: -43.323
Base-Backbone interact. energy: -0.618
local terms energy: -64.325176
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -90.740365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.740365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.740365 (E_RNA)
where:
Base-Base interactions energy: -41.132
where: short stacking energy: -40.241
Base-Backbone interact. energy: -0.001
local terms energy: -49.606594
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -104.889635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.889635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.889635 (E_RNA)
where:
Base-Base interactions energy: -47.759
where: short stacking energy: -39.768
Base-Backbone interact. energy: -0.236
local terms energy: -56.894870
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -98.077088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.077088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.077088 (E_RNA)
where:
Base-Base interactions energy: -34.891
where: short stacking energy: -34.891
Base-Backbone interact. energy: -0.015
local terms energy: -63.170954
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -85.338499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338499 (E_RNA)
where:
Base-Base interactions energy: -33.884
where: short stacking energy: -33.884
Base-Backbone interact. energy: -0.249
local terms energy: -51.205406
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -75.035597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.035597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.035597 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -21.535
Base-Backbone interact. energy: -0.107
local terms energy: -45.000279
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -1.837
tors. eta vs tors. theta energy: 0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -206.879679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.879679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.879679 (E_RNA)
where:
Base-Base interactions energy: -140.361
where: short stacking energy: -70.973
Base-Backbone interact. energy: -0.095
local terms energy: -66.424139
where:
bonds (distance) C4'-P energy: -5.190
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -192.771579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.771579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.771579 (E_RNA)
where:
Base-Base interactions energy: -120.403
where: short stacking energy: -51.252
Base-Backbone interact. energy: -0.574
local terms energy: -71.794106
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -154.377071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.377071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.377071 (E_RNA)
where:
Base-Base interactions energy: -85.872
where: short stacking energy: -48.419
Base-Backbone interact. energy: -0.180
local terms energy: -68.324917
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.267
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: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -144.866739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.866739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.866739 (E_RNA)
where:
Base-Base interactions energy: -76.411
where: short stacking energy: -42.363
Base-Backbone interact. energy: 0.216
local terms energy: -68.670908
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -123.618408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.618408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.618408 (E_RNA)
where:
Base-Base interactions energy: -76.897
where: short stacking energy: -30.267
Base-Backbone interact. energy: -0.042
local terms energy: -46.679983
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -8.782
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -4.450
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: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -97.080241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.080241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.080241 (E_RNA)
where:
Base-Base interactions energy: -40.797
where: short stacking energy: -37.475
Base-Backbone interact. energy: 0.230
local terms energy: -56.513124
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.279
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: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -86.606190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.606190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.606190 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -34.910
Base-Backbone interact. energy: -0.057
local terms energy: -51.639239
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -4.482
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: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -91.016111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.016111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.016111 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -37.066
Base-Backbone interact. energy: -0.181
local terms energy: -53.443662
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -3.986
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: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -84.831906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831906 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -28.028
Base-Backbone interact. energy: 0.376
local terms energy: -48.756423
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -77.471047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.471047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.471047 (E_RNA)
where:
Base-Base interactions energy: -21.247
where: short stacking energy: -21.347
Base-Backbone interact. energy: -0.227
local terms energy: -55.997744
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -4.215
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: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -226.877041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.877041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.877041 (E_RNA)
where:
Base-Base interactions energy: -153.347
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.156
local terms energy: -73.374175
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -19.757
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: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -195.220323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.220323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.220323 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.157
local terms energy: -69.385858
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -7.615
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: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -175.638441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.638441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.638441 (E_RNA)
where:
Base-Base interactions energy: -112.340
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.082
local terms energy: -63.216069
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -129.828590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.828590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.828590 (E_RNA)
where:
Base-Base interactions energy: -67.187
where: short stacking energy: -34.054
Base-Backbone interact. energy: -0.186
local terms energy: -62.456143
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -133.632622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.632622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.632622 (E_RNA)
where:
Base-Base interactions energy: -72.070
where: short stacking energy: -42.493
Base-Backbone interact. energy: 1.213
local terms energy: -62.775647
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -99.284276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.284276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.284276 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -47.588
Base-Backbone interact. energy: -0.030
local terms energy: -51.666608
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -1.803
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -91.944301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.944301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.944301 (E_RNA)
where:
Base-Base interactions energy: -32.908
where: short stacking energy: -32.908
Base-Backbone interact. energy: -0.406
local terms energy: -58.630042
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -85.044403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.044403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.044403 (E_RNA)
where:
Base-Base interactions energy: -36.857
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.251
local terms energy: -47.935926
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -5.507
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: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -82.993404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.993404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.993404 (E_RNA)
where:
Base-Base interactions energy: -28.642
where: short stacking energy: -26.634
Base-Backbone interact. energy: -0.062
local terms energy: -54.289157
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -10.657
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: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -77.424565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.424565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.424565 (E_RNA)
where:
Base-Base interactions energy: -29.757
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.041
local terms energy: -47.626939
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -7.446
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -233.752985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.752985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.752985 (E_RNA)
where:
Base-Base interactions energy: -149.547
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.003
local terms energy: -84.203039
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -211.611157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.611157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.611157 (E_RNA)
where:
Base-Base interactions energy: -136.359
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.178
local terms energy: -75.073873
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -11.177
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: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -173.661729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.661729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.661729 (E_RNA)
where:
Base-Base interactions energy: -105.551
where: short stacking energy: -45.609
Base-Backbone interact. energy: -0.741
local terms energy: -67.369518
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -12.365
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: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -138.246187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.246187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.246187 (E_RNA)
where:
Base-Base interactions energy: -76.420
where: short stacking energy: -39.494
Base-Backbone interact. energy: -0.345
local terms energy: -61.480906
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -10.639
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: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -150.576367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.576367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.576367 (E_RNA)
where:
Base-Base interactions energy: -78.001
where: short stacking energy: -51.263
Base-Backbone interact. energy: 1.358
local terms energy: -73.933272
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -96.276961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.276961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.276961 (E_RNA)
where:
Base-Base interactions energy: -36.664
where: short stacking energy: -33.454
Base-Backbone interact. energy: 0.169
local terms energy: -59.781959
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -87.183482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.183482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.183482 (E_RNA)
where:
Base-Base interactions energy: -32.548
where: short stacking energy: -32.548
Base-Backbone interact. energy: -0.065
local terms energy: -54.570351
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -99.221452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.221452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.221452 (E_RNA)
where:
Base-Base interactions energy: -52.508
where: short stacking energy: -34.514
Base-Backbone interact. energy: -0.077
local terms energy: -46.636425
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -78.553162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.553162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.553162 (E_RNA)
where:
Base-Base interactions energy: -25.594
where: short stacking energy: -25.019
Base-Backbone interact. energy: -0.155
local terms energy: -52.804409
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.725582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.725582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.725582 (E_RNA)
where:
Base-Base interactions energy: -25.133
where: short stacking energy: -25.133
Base-Backbone interact. energy: 1.050
local terms energy: -57.642470
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -213.288071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288071 (E_RNA)
where:
Base-Base interactions energy: -135.498
where: short stacking energy: -63.924
Base-Backbone interact. energy: -0.085
local terms energy: -77.705115
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -232.258585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.258585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.258585 (E_RNA)
where:
Base-Base interactions energy: -157.601
where: short stacking energy: -77.157
Base-Backbone interact. energy: -0.004
local terms energy: -74.653335
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -196.001350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.001350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.001350 (E_RNA)
where:
Base-Base interactions energy: -132.838
where: short stacking energy: -61.442
Base-Backbone interact. energy: -0.100
local terms energy: -63.062682
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -14.477
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: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -151.931108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.931108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.931108 (E_RNA)
where:
Base-Base interactions energy: -94.294
where: short stacking energy: -48.030
Base-Backbone interact. energy: -0.002
local terms energy: -57.635435
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -128.470235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.470235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.470235 (E_RNA)
where:
Base-Base interactions energy: -73.017
where: short stacking energy: -42.159
Base-Backbone interact. energy: 0.010
local terms energy: -55.463493
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -121.527812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.527812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.527812 (E_RNA)
where:
Base-Base interactions energy: -64.184
where: short stacking energy: -49.693
Base-Backbone interact. energy: -0.216
local terms energy: -57.128369
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -10.963
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: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -87.402203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.402203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.402203 (E_RNA)
where:
Base-Base interactions energy: -31.686
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.251
local terms energy: -55.464636
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -81.497487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.497487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.497487 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -30.861
Base-Backbone interact. energy: -0.348
local terms energy: -49.995761
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -6.239
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: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -77.090255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.090255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.090255 (E_RNA)
where:
Base-Base interactions energy: -27.503
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.183
local terms energy: -49.404542
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -9.062
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -78.190137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.190137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.190137 (E_RNA)
where:
Base-Base interactions energy: -38.743
where: short stacking energy: -21.987
Base-Backbone interact. energy: -0.196
local terms energy: -39.251834
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -200.052823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.052823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.052823 (E_RNA)
where:
Base-Base interactions energy: -127.530
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.449
local terms energy: -72.073820
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -227.624895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.624895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.624895 (E_RNA)
where:
Base-Base interactions energy: -150.041
where: short stacking energy: -75.250
Base-Backbone interact. energy: -0.077
local terms energy: -77.506365
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -19.667
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: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -196.750699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.750699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.750699 (E_RNA)
where:
Base-Base interactions energy: -127.543
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.007
local terms energy: -69.201283
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -168.005217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.005217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.005217 (E_RNA)
where:
Base-Base interactions energy: -99.939
where: short stacking energy: -58.160
Base-Backbone interact. energy: -0.140
local terms energy: -67.926006
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -124.415858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.415858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.415858 (E_RNA)
where:
Base-Base interactions energy: -66.303
where: short stacking energy: -37.302
Base-Backbone interact. energy: -0.199
local terms energy: -57.913986
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -5.554
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: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -99.523688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.523688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.523688 (E_RNA)
where:
Base-Base interactions energy: -42.581
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.002
local terms energy: -56.940471
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -8.090
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: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -86.844715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.844715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.844715 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -26.901
Base-Backbone interact. energy: -0.147
local terms energy: -56.826401
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -82.836376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.836376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.836376 (E_RNA)
where:
Base-Base interactions energy: -30.524
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.015
local terms energy: -52.297953
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -112.541485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.541485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.541485 (E_RNA)
where:
Base-Base interactions energy: -60.162
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.583
local terms energy: -51.795612
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -3.565
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: 31
Temperature: 1.350000
Total energy: -80.302748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.302748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.302748 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -27.864
Base-Backbone interact. energy: -0.064
local terms energy: -52.375355
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -235.507749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.507749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.507749 (E_RNA)
where:
Base-Base interactions energy: -158.884
where: short stacking energy: -80.086
Base-Backbone interact. energy: -0.004
local terms energy: -76.620587
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -206.520908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.520908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.520908 (E_RNA)
where:
Base-Base interactions energy: -131.377
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.411
local terms energy: -74.733583
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -210.111947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.111947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.111947 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -68.724
Base-Backbone interact. energy: -0.004
local terms energy: -71.880435
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -163.525056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.525056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.525056 (E_RNA)
where:
Base-Base interactions energy: -95.076
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.008
local terms energy: -68.441275
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.324
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: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -138.665157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.665157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.665157 (E_RNA)
where:
Base-Base interactions energy: -86.295
where: short stacking energy: -49.119
Base-Backbone interact. energy: -0.270
local terms energy: -52.100232
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -94.361375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.361375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.361375 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.262
local terms energy: -49.537468
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -5.717
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -102.236054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.236054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.236054 (E_RNA)
where:
Base-Base interactions energy: -47.085
where: short stacking energy: -33.982
Base-Backbone interact. energy: -0.095
local terms energy: -55.056498
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -93.976837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.976837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.976837 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.010
local terms energy: -58.964469
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -9.217
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: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -76.550699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.550699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.550699 (E_RNA)
where:
Base-Base interactions energy: -27.247
where: short stacking energy: -27.247
Base-Backbone interact. energy: -0.161
local terms energy: -49.142495
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -72.994022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.994022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.994022 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.095
local terms energy: -39.686961
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -1.926
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -236.967715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.967715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.967715 (E_RNA)
where:
Base-Base interactions energy: -157.461
where: short stacking energy: -75.353
Base-Backbone interact. energy: 1.940
local terms energy: -81.446174
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -200.341207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.341207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.341207 (E_RNA)
where:
Base-Base interactions energy: -129.761
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.326
local terms energy: -70.253549
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -198.748429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.748429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.748429 (E_RNA)
where:
Base-Base interactions energy: -132.158
where: short stacking energy: -56.961
Base-Backbone interact. energy: -0.131
local terms energy: -66.458635
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -163.600938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.600938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.600938 (E_RNA)
where:
Base-Base interactions energy: -98.715
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.126
local terms energy: -64.760656
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -8.054
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -164.693771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.693771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.693771 (E_RNA)
where:
Base-Base interactions energy: -105.296
where: short stacking energy: -45.476
Base-Backbone interact. energy: -0.158
local terms energy: -59.239676
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -105.292407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.292407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.292407 (E_RNA)
where:
Base-Base interactions energy: -53.055
where: short stacking energy: -34.050
Base-Backbone interact. energy: 0.027
local terms energy: -52.264159
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -83.284781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.284781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.284781 (E_RNA)
where:
Base-Base interactions energy: -33.455
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.134
local terms energy: -49.696216
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -84.873295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.873295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.873295 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -22.172
Base-Backbone interact. energy: -0.318
local terms energy: -47.545088
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -7.343
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -79.103790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.103790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.103790 (E_RNA)
where:
Base-Base interactions energy: -28.093
where: short stacking energy: -25.180
Base-Backbone interact. energy: -0.197
local terms energy: -50.813681
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.613
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: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -78.672538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.672538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.672538 (E_RNA)
where:
Base-Base interactions energy: -35.213
where: short stacking energy: -25.146
Base-Backbone interact. energy: -0.540
local terms energy: -42.919309
where:
bonds (distance) C4'-P energy: -6.503
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -231.063666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.063666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.063666 (E_RNA)
where:
Base-Base interactions energy: -151.988
where: short stacking energy: -71.779
Base-Backbone interact. energy: -0.014
local terms energy: -79.061801
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.689
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -210.894358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.894358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.894358 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -65.711
Base-Backbone interact. energy: -0.053
local terms energy: -75.950784
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -190.677044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.677044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.677044 (E_RNA)
where:
Base-Base interactions energy: -119.062
where: short stacking energy: -55.941
Base-Backbone interact. energy: -0.014
local terms energy: -71.600988
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -15.671
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: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -152.143666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.143666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.143666 (E_RNA)
where:
Base-Base interactions energy: -91.753
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.171
local terms energy: -60.219681
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -160.282604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.282604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.282604 (E_RNA)
where:
Base-Base interactions energy: -93.530
where: short stacking energy: -60.463
Base-Backbone interact. energy: 0.561
local terms energy: -67.313498
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -98.558169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.558169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.558169 (E_RNA)
where:
Base-Base interactions energy: -43.400
where: short stacking energy: -35.407
Base-Backbone interact. energy: -0.707
local terms energy: -54.450980
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -98.501207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.501207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.501207 (E_RNA)
where:
Base-Base interactions energy: -36.323
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.037
local terms energy: -62.141420
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -9.191
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: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -82.277278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.277278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.277278 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -28.772
Base-Backbone interact. energy: -0.449
local terms energy: -49.496829
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -79.824214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.824214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.824214 (E_RNA)
where:
Base-Base interactions energy: -35.558
where: short stacking energy: -25.383
Base-Backbone interact. energy: -0.985
local terms energy: -43.280992
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -0.627
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -84.467829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.467829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.467829 (E_RNA)
where:
Base-Base interactions energy: -31.171
where: short stacking energy: -22.937
Base-Backbone interact. energy: -0.458
local terms energy: -52.839021
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -232.606016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.606016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.606016 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -77.564
Base-Backbone interact. energy: -0.020
local terms energy: -79.369296
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -215.846286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.846286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.846286 (E_RNA)
where:
Base-Base interactions energy: -143.235
where: short stacking energy: -71.355
Base-Backbone interact. energy: -0.025
local terms energy: -72.586339
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -7.518
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: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -199.310763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.310763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.310763 (E_RNA)
where:
Base-Base interactions energy: -133.381
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.525
local terms energy: -65.405442
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -153.395505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.395505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.395505 (E_RNA)
where:
Base-Base interactions energy: -94.073
where: short stacking energy: -44.529
Base-Backbone interact. energy: -0.306
local terms energy: -59.016788
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -129.768145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.768145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.768145 (E_RNA)
where:
Base-Base interactions energy: -70.241
where: short stacking energy: -38.196
Base-Backbone interact. energy: -0.190
local terms energy: -59.337356
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -106.510912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.510912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.510912 (E_RNA)
where:
Base-Base interactions energy: -51.925
where: short stacking energy: -51.925
Base-Backbone interact. energy: -0.007
local terms energy: -54.579332
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -114.890635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.890635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.890635 (E_RNA)
where:
Base-Base interactions energy: -54.877
where: short stacking energy: -25.986
Base-Backbone interact. energy: -0.143
local terms energy: -59.871499
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -9.099
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: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -85.103643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.103643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.103643 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -22.384
Base-Backbone interact. energy: -0.213
local terms energy: -52.563234
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -74.608144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.608144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.608144 (E_RNA)
where:
Base-Base interactions energy: -25.358
where: short stacking energy: -21.307
Base-Backbone interact. energy: -0.685
local terms energy: -48.564794
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -9.797
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -83.804277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.804277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.804277 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -30.606
Base-Backbone interact. energy: -0.019
local terms energy: -53.178396
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -9.064
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -230.644832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.644832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.644832 (E_RNA)
where:
Base-Base interactions energy: -160.505
where: short stacking energy: -78.910
Base-Backbone interact. energy: -0.014
local terms energy: -70.125987
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -12.198
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -209.707303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.707303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.707303 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -66.330
Base-Backbone interact. energy: 0.844
local terms energy: -79.449866
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -20.558
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: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -195.689860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.689860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.689860 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.223
local terms energy: -73.771183
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -135.773790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.773790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.773790 (E_RNA)
where:
Base-Base interactions energy: -68.393
where: short stacking energy: -38.795
Base-Backbone interact. energy: 0.091
local terms energy: -67.471934
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -165.450825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.450825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.450825 (E_RNA)
where:
Base-Base interactions energy: -95.976
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.129
local terms energy: -69.346344
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -107.119489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.119489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.119489 (E_RNA)
where:
Base-Base interactions energy: -48.488
where: short stacking energy: -35.465
Base-Backbone interact. energy: -0.094
local terms energy: -58.538142
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -92.200092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200092 (E_RNA)
where:
Base-Base interactions energy: -35.942
where: short stacking energy: -35.942
Base-Backbone interact. energy: -0.194
local terms energy: -56.064582
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -5.940
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: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -95.780084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.780084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.780084 (E_RNA)
where:
Base-Base interactions energy: -34.873
where: short stacking energy: -23.741
Base-Backbone interact. energy: 0.612
local terms energy: -61.519063
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -73.916760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.916760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.916760 (E_RNA)
where:
Base-Base interactions energy: -24.723
where: short stacking energy: -22.016
Base-Backbone interact. energy: 0.520
local terms energy: -49.713258
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -4.529
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: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -75.178593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178593 (E_RNA)
where:
Base-Base interactions energy: -27.624
where: short stacking energy: -27.624
Base-Backbone interact. energy: -0.171
local terms energy: -47.383374
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -233.595272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.595272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.595272 (E_RNA)
where:
Base-Base interactions energy: -162.525
where: short stacking energy: -77.689
Base-Backbone interact. energy: -0.163
local terms energy: -70.907662
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -204.015228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.015228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.015228 (E_RNA)
where:
Base-Base interactions energy: -133.151
where: short stacking energy: -61.524
Base-Backbone interact. energy: 1.558
local terms energy: -72.421951
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -202.321113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.321113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.321113 (E_RNA)
where:
Base-Base interactions energy: -131.775
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.848
local terms energy: -69.698602
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -136.991800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.991800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.991800 (E_RNA)
where:
Base-Base interactions energy: -86.637
where: short stacking energy: -44.085
Base-Backbone interact. energy: -0.153
local terms energy: -50.202437
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -123.555929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.555929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.555929 (E_RNA)
where:
Base-Base interactions energy: -61.262
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.004
local terms energy: -62.290133
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -97.413318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.413318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.413318 (E_RNA)
where:
Base-Base interactions energy: -36.653
where: short stacking energy: -36.653
Base-Backbone interact. energy: -0.061
local terms energy: -60.699754
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -100.523435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.523435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.523435 (E_RNA)
where:
Base-Base interactions energy: -46.141
where: short stacking energy: -44.546
Base-Backbone interact. energy: -0.082
local terms energy: -54.300239
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -88.121876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.121876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.121876 (E_RNA)
where:
Base-Base interactions energy: -33.554
where: short stacking energy: -33.554
Base-Backbone interact. energy: -0.038
local terms energy: -54.529976
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -7.726
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: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -85.383917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.383917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.383917 (E_RNA)
where:
Base-Base interactions energy: -35.512
where: short stacking energy: -30.819
Base-Backbone interact. energy: -0.184
local terms energy: -49.688213
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -129.208869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.208869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.208869 (E_RNA)
where:
Base-Base interactions energy: -82.425
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.748
local terms energy: -46.035696
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -238.593363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.593363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.593363 (E_RNA)
where:
Base-Base interactions energy: -157.107
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.239
local terms energy: -81.247420
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -22.884
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -214.796601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.796601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.796601 (E_RNA)
where:
Base-Base interactions energy: -139.948
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.003
local terms energy: -74.845309
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -187.671219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.671219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.671219 (E_RNA)
where:
Base-Base interactions energy: -121.146
where: short stacking energy: -55.964
Base-Backbone interact. energy: -0.846
local terms energy: -65.679694
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -15.879
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: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -153.450885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.450885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.450885 (E_RNA)
where:
Base-Base interactions energy: -88.961
where: short stacking energy: -49.997
Base-Backbone interact. energy: -0.029
local terms energy: -64.460742
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -128.305290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.305290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.305290 (E_RNA)
where:
Base-Base interactions energy: -69.453
where: short stacking energy: -40.205
Base-Backbone interact. energy: -0.165
local terms energy: -58.687286
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -98.846248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.846248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.846248 (E_RNA)
where:
Base-Base interactions energy: -42.899
where: short stacking energy: -42.899
Base-Backbone interact. energy: -0.433
local terms energy: -55.514298
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -88.857747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.857747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.857747 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.141
local terms energy: -51.066979
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -81.255340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.255340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.255340 (E_RNA)
where:
Base-Base interactions energy: -33.763
where: short stacking energy: -33.763
Base-Backbone interact. energy: -0.100
local terms energy: -47.392318
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -8.089
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -78.253633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.253633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.253633 (E_RNA)
where:
Base-Base interactions energy: -31.076
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.437
local terms energy: -46.740332
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: 2.515
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: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -78.336783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.336783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.336783 (E_RNA)
where:
Base-Base interactions energy: -28.951
where: short stacking energy: -28.876
Base-Backbone interact. energy: -0.135
local terms energy: -49.251454
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -8.901
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: 39
Temperature: 0.900000
Total energy: -229.566252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.566252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.566252 (E_RNA)
where:
Base-Base interactions energy: -150.015
where: short stacking energy: -70.064
Base-Backbone interact. energy: -0.001
local terms energy: -79.550024
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -188.759673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.759673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.759673 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.193
local terms energy: -67.616880
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -209.654584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.654584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.654584 (E_RNA)
where:
Base-Base interactions energy: -135.679
where: short stacking energy: -66.510
Base-Backbone interact. energy: -0.807
local terms energy: -73.168428
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -159.264192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.264192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.264192 (E_RNA)
where:
Base-Base interactions energy: -93.535
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.014
local terms energy: -65.715486
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -150.666312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.666312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.666312 (E_RNA)
where:
Base-Base interactions energy: -89.319
where: short stacking energy: -53.094
Base-Backbone interact. energy: -0.055
local terms energy: -61.292141
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -104.725679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.725679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.725679 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -34.867
Base-Backbone interact. energy: -0.175
local terms energy: -59.419927
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -84.178419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178419 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -24.297
Base-Backbone interact. energy: -0.659
local terms energy: -55.925632
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -7.170
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: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -79.529326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.529326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.529326 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.341
local terms energy: -47.059003
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -7.826
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: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -83.416997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.416997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.416997 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.203
local terms energy: -53.076286
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -77.596710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.596710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.596710 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -17.662
Base-Backbone interact. energy: -0.829
local terms energy: -42.731695
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -6.572
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: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -229.953273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.953273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.953273 (E_RNA)
where:
Base-Base interactions energy: -160.814
where: short stacking energy: -75.240
Base-Backbone interact. energy: -0.039
local terms energy: -69.101076
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -5.845
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: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -190.297009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.297009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.297009 (E_RNA)
where:
Base-Base interactions energy: -120.840
where: short stacking energy: -55.392
Base-Backbone interact. energy: -0.250
local terms energy: -69.206658
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -209.020224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.020224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.020224 (E_RNA)
where:
Base-Base interactions energy: -132.110
where: short stacking energy: -67.442
Base-Backbone interact. energy: -0.039
local terms energy: -76.870932
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -12.656
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: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -169.577015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.577015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.577015 (E_RNA)
where:
Base-Base interactions energy: -93.931
where: short stacking energy: -54.753
Base-Backbone interact. energy: -0.019
local terms energy: -75.627238
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -157.013869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.013869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.013869 (E_RNA)
where:
Base-Base interactions energy: -94.040
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.265
local terms energy: -62.708475
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -16.514
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: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -102.915852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.915852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.915852 (E_RNA)
where:
Base-Base interactions energy: -50.743
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.347
local terms energy: -51.825699
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -117.062759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.062759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.062759 (E_RNA)
where:
Base-Base interactions energy: -56.781
where: short stacking energy: -29.845
Base-Backbone interact. energy: -0.272
local terms energy: -60.009862
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -93.584050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.584050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.584050 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -40.515
Base-Backbone interact. energy: -0.237
local terms energy: -52.044095
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -78.338338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.338338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.338338 (E_RNA)
where:
Base-Base interactions energy: -26.211
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.202
local terms energy: -51.924914
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -70.867711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.867711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.867711 (E_RNA)
where:
Base-Base interactions energy: -26.115
where: short stacking energy: -20.175
Base-Backbone interact. energy: -0.119
local terms energy: -44.633081
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: 5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -231.794003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.794003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.794003 (E_RNA)
where:
Base-Base interactions energy: -152.807
where: short stacking energy: -79.398
Base-Backbone interact. energy: -0.394
local terms energy: -78.592577
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -207.306722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.306722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.306722 (E_RNA)
where:
Base-Base interactions energy: -126.803
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.006
local terms energy: -80.497106
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -17.813
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: 41
Temperature: 1.000000
Total energy: -190.891868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.891868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.891868 (E_RNA)
where:
Base-Base interactions energy: -129.093
where: short stacking energy: -63.892
Base-Backbone interact. energy: -0.066
local terms energy: -61.732413
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -155.437285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.437285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.437285 (E_RNA)
where:
Base-Base interactions energy: -95.999
where: short stacking energy: -50.376
Base-Backbone interact. energy: -0.023
local terms energy: -59.414974
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -11.750
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: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -153.822475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.822475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.822475 (E_RNA)
where:
Base-Base interactions energy: -87.024
where: short stacking energy: -50.895
Base-Backbone interact. energy: -0.296
local terms energy: -66.502194
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -123.525088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.525088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.525088 (E_RNA)
where:
Base-Base interactions energy: -67.229
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.846
local terms energy: -55.449837
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -10.081
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: 41
Temperature: 1.200000
Total energy: -89.445228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.445228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.445228 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -30.768
Base-Backbone interact. energy: -0.080
local terms energy: -58.596837
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -9.077
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: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -85.589900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.589900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.589900 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -22.036
Base-Backbone interact. energy: -0.609
local terms energy: -49.388916
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -72.233443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.233443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.233443 (E_RNA)
where:
Base-Base interactions energy: -23.256
where: short stacking energy: -23.256
Base-Backbone interact. energy: -0.096
local terms energy: -48.881888
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: 1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -70.241680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.241680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.241680 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -24.776
Base-Backbone interact. energy: -0.020
local terms energy: -42.037187
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -2.713
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: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -232.926984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.926984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.926984 (E_RNA)
where:
Base-Base interactions energy: -151.804
where: short stacking energy: -71.571
Base-Backbone interact. energy: -0.000
local terms energy: -81.122926
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -212.764122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.764122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.764122 (E_RNA)
where:
Base-Base interactions energy: -135.554
where: short stacking energy: -64.625
Base-Backbone interact. energy: 0.067
local terms energy: -77.277235
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -18.373
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: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -165.959809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.959809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.959809 (E_RNA)
where:
Base-Base interactions energy: -97.543
where: short stacking energy: -54.572
Base-Backbone interact. energy: -0.005
local terms energy: -68.411139
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -181.719831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.719831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.719831 (E_RNA)
where:
Base-Base interactions energy: -120.168
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.135
local terms energy: -61.417364
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -8.773
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: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -144.622898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.622898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.622898 (E_RNA)
where:
Base-Base interactions energy: -85.931
where: short stacking energy: -49.654
Base-Backbone interact. energy: -0.070
local terms energy: -58.622232
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -122.648322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.648322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.648322 (E_RNA)
where:
Base-Base interactions energy: -60.960
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.004
local terms energy: -61.684469
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -12.200
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: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -92.183920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.183920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.183920 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -32.402
Base-Backbone interact. energy: 0.119
local terms energy: -59.900396
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -85.264793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.264793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.264793 (E_RNA)
where:
Base-Base interactions energy: -28.152
where: short stacking energy: -28.152
Base-Backbone interact. energy: -0.262
local terms energy: -56.850686
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -76.368971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.368971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.368971 (E_RNA)
where:
Base-Base interactions energy: -24.557
where: short stacking energy: -21.200
Base-Backbone interact. energy: -0.149
local terms energy: -51.663041
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: 3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -81.396558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.396558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.396558 (E_RNA)
where:
Base-Base interactions energy: -27.579
where: short stacking energy: -27.579
Base-Backbone interact. energy: -0.276
local terms energy: -53.541605
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -243.095655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.095655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.095655 (E_RNA)
where:
Base-Base interactions energy: -162.473
where: short stacking energy: -76.501
Base-Backbone interact. energy: 0.401
local terms energy: -81.024188
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -207.623858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.623858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.623858 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.036
local terms energy: -82.246208
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -168.278878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.278878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.278878 (E_RNA)
where:
Base-Base interactions energy: -91.808
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.094
local terms energy: -76.376014
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -150.073545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.073545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.073545 (E_RNA)
where:
Base-Base interactions energy: -84.310
where: short stacking energy: -48.065
Base-Backbone interact. energy: -0.079
local terms energy: -65.684931
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -187.414167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.414167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.414167 (E_RNA)
where:
Base-Base interactions energy: -118.480
where: short stacking energy: -49.552
Base-Backbone interact. energy: -0.320
local terms energy: -68.614808
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -86.950585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.950585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.950585 (E_RNA)
where:
Base-Base interactions energy: -31.656
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.511
local terms energy: -54.783640
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -117.184122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.184122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.184122 (E_RNA)
where:
Base-Base interactions energy: -58.173
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.022
local terms energy: -58.988999
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -85.708670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.708670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.708670 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -28.621
Base-Backbone interact. energy: -0.099
local terms energy: -47.881921
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -4.935
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: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -79.061334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.061334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.061334 (E_RNA)
where:
Base-Base interactions energy: -21.672
where: short stacking energy: -21.255
Base-Backbone interact. energy: -0.745
local terms energy: -56.643710
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -66.792663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.792663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.792663 (E_RNA)
where:
Base-Base interactions energy: -28.877
where: short stacking energy: -19.354
Base-Backbone interact. energy: -0.341
local terms energy: -37.575177
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: 2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -232.075125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.075125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.075125 (E_RNA)
where:
Base-Base interactions energy: -157.846
where: short stacking energy: -79.020
Base-Backbone interact. energy: -0.001
local terms energy: -74.228744
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -8.914
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: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -209.250908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.250908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.250908 (E_RNA)
where:
Base-Base interactions energy: -134.932
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.004
local terms energy: -74.315369
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -164.502044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.502044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.502044 (E_RNA)
where:
Base-Base interactions energy: -95.061
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.052
local terms energy: -69.388731
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -169.470368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.470368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.470368 (E_RNA)
where:
Base-Base interactions energy: -98.991
where: short stacking energy: -49.494
Base-Backbone interact. energy: -0.032
local terms energy: -70.446637
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -188.813461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.813461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.813461 (E_RNA)
where:
Base-Base interactions energy: -118.317
where: short stacking energy: -53.526
Base-Backbone interact. energy: -0.472
local terms energy: -70.024480
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.763
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: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -100.451686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.451686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.451686 (E_RNA)
where:
Base-Base interactions energy: -42.843
where: short stacking energy: -42.843
Base-Backbone interact. energy: -0.006
local terms energy: -57.601852
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -8.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -102.591162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.591162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.591162 (E_RNA)
where:
Base-Base interactions energy: -43.315
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.064
local terms energy: -59.211551
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -82.907120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.907120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.907120 (E_RNA)
where:
Base-Base interactions energy: -47.699
where: short stacking energy: -22.982
Base-Backbone interact. energy: -0.237
local terms energy: -34.971101
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -7.108
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: 2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -84.890379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.890379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.890379 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -28.987
Base-Backbone interact. energy: -0.122
local terms energy: -55.781072
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -69.449135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.449135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.449135 (E_RNA)
where:
Base-Base interactions energy: -26.177
where: short stacking energy: -26.177
Base-Backbone interact. energy: 0.484
local terms energy: -43.756418
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -2.206
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -232.994823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.994823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.994823 (E_RNA)
where:
Base-Base interactions energy: -151.888
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.011
local terms energy: -81.095512
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -12.744
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -219.029600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.029600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.029600 (E_RNA)
where:
Base-Base interactions energy: -139.303
where: short stacking energy: -77.421
Base-Backbone interact. energy: -0.001
local terms energy: -79.725656
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -163.263719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.263719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.263719 (E_RNA)
where:
Base-Base interactions energy: -93.235
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.115
local terms energy: -69.913648
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -15.229
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: 45
Temperature: 1.050000
Total energy: -175.114432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.114432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.114432 (E_RNA)
where:
Base-Base interactions energy: -111.382
where: short stacking energy: -44.140
Base-Backbone interact. energy: -0.466
local terms energy: -63.266552
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -151.065922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.065922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.065922 (E_RNA)
where:
Base-Base interactions energy: -90.950
where: short stacking energy: -44.341
Base-Backbone interact. energy: -0.022
local terms energy: -60.093693
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -10.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -123.009920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.009920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.009920 (E_RNA)
where:
Base-Base interactions energy: -66.797
where: short stacking energy: -40.292
Base-Backbone interact. energy: -0.416
local terms energy: -55.797422
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -92.376121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.376121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.376121 (E_RNA)
where:
Base-Base interactions energy: -37.218
where: short stacking energy: -35.475
Base-Backbone interact. energy: 0.025
local terms energy: -55.183314
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -5.793
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: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -79.446465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.446465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.446465 (E_RNA)
where:
Base-Base interactions energy: -26.102
where: short stacking energy: -19.627
Base-Backbone interact. energy: -0.183
local terms energy: -53.161375
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -82.848534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.848534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.848534 (E_RNA)
where:
Base-Base interactions energy: -42.982
where: short stacking energy: -30.495
Base-Backbone interact. energy: -0.273
local terms energy: -39.593790
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: 1.486
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: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -79.421506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.421506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.421506 (E_RNA)
where:
Base-Base interactions energy: -34.212
where: short stacking energy: -22.580
Base-Backbone interact. energy: 3.271
local terms energy: -48.480755
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -233.056513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.056513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.056513 (E_RNA)
where:
Base-Base interactions energy: -155.509
where: short stacking energy: -75.220
Base-Backbone interact. energy: -0.002
local terms energy: -77.545657
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -23.283
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -213.852994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852994 (E_RNA)
where:
Base-Base interactions energy: -133.241
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.002
local terms energy: -80.609847
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -166.329849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.329849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.329849 (E_RNA)
where:
Base-Base interactions energy: -99.074
where: short stacking energy: -49.332
Base-Backbone interact. energy: -0.064
local terms energy: -67.191567
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -184.828959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.828959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.828959 (E_RNA)
where:
Base-Base interactions energy: -116.111
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.252
local terms energy: -68.466131
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -127.185922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.185922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.185922 (E_RNA)
where:
Base-Base interactions energy: -74.722
where: short stacking energy: -46.085
Base-Backbone interact. energy: -0.040
local terms energy: -52.423825
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -7.484
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: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -163.077364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.077364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.077364 (E_RNA)
where:
Base-Base interactions energy: -95.999
where: short stacking energy: -50.451
Base-Backbone interact. energy: -0.067
local terms energy: -67.011034
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -11.874
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: 46
Temperature: 1.200000
Total energy: -94.618328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.618328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.618328 (E_RNA)
where:
Base-Base interactions energy: -37.127
where: short stacking energy: -36.881
Base-Backbone interact. energy: -0.194
local terms energy: -57.297146
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -85.487542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.487542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.487542 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.264
local terms energy: -53.606789
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.196
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: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -82.802404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.802404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.802404 (E_RNA)
where:
Base-Base interactions energy: -34.381
where: short stacking energy: -17.665
Base-Backbone interact. energy: -0.209
local terms energy: -48.212580
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: 1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -75.046303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.046303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.046303 (E_RNA)
where:
Base-Base interactions energy: -25.379
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.351
local terms energy: -49.315970
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -0.564
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: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -235.692205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.692205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.692205 (E_RNA)
where:
Base-Base interactions energy: -155.420
where: short stacking energy: -70.832
Base-Backbone interact. energy: 1.720
local terms energy: -81.992629
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -164.354392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.354392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.354392 (E_RNA)
where:
Base-Base interactions energy: -113.337
where: short stacking energy: -51.065
Base-Backbone interact. energy: -0.089
local terms energy: -50.928361
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -216.675256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.675256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.675256 (E_RNA)
where:
Base-Base interactions energy: -139.653
where: short stacking energy: -68.701
Base-Backbone interact. energy: -0.040
local terms energy: -76.982362
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -179.056224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.056224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.056224 (E_RNA)
where:
Base-Base interactions energy: -121.255
where: short stacking energy: -48.984
Base-Backbone interact. energy: -1.279
local terms energy: -56.521574
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -142.484515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.484515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.484515 (E_RNA)
where:
Base-Base interactions energy: -82.977
where: short stacking energy: -45.920
Base-Backbone interact. energy: -0.038
local terms energy: -59.469133
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -163.834689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.834689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.834689 (E_RNA)
where:
Base-Base interactions energy: -91.349
where: short stacking energy: -52.978
Base-Backbone interact. energy: -0.001
local terms energy: -72.484176
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -94.439602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439602 (E_RNA)
where:
Base-Base interactions energy: -39.795
where: short stacking energy: -37.163
Base-Backbone interact. energy: -0.085
local terms energy: -54.559753
where:
bonds (distance) C4'-P energy: -5.290
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -12.714
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: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -83.435632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.435632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.435632 (E_RNA)
where:
Base-Base interactions energy: -34.665
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.111
local terms energy: -48.660190
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -84.309084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.309084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.309084 (E_RNA)
where:
Base-Base interactions energy: -30.495
where: short stacking energy: -27.675
Base-Backbone interact. energy: 0.309
local terms energy: -54.122881
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -93.751483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.751483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.751483 (E_RNA)
where:
Base-Base interactions energy: -46.670
where: short stacking energy: -23.893
Base-Backbone interact. energy: 2.086
local terms energy: -49.166513
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -7.887
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: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -236.035683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.035683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.035683 (E_RNA)
where:
Base-Base interactions energy: -155.265
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.041
local terms energy: -80.729960
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -21.675
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: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -168.663612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.663612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.663612 (E_RNA)
where:
Base-Base interactions energy: -94.019
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.100
local terms energy: -74.545043
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -220.660941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.660941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.660941 (E_RNA)
where:
Base-Base interactions energy: -139.456
where: short stacking energy: -71.513
Base-Backbone interact. energy: -0.890
local terms energy: -80.314370
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -157.621873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.621873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.621873 (E_RNA)
where:
Base-Base interactions energy: -101.779
where: short stacking energy: -49.145
Base-Backbone interact. energy: 1.916
local terms energy: -57.758082
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -160.876563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.876563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.876563 (E_RNA)
where:
Base-Base interactions energy: -98.998
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.087
local terms energy: -61.791644
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -157.457673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.457673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.457673 (E_RNA)
where:
Base-Base interactions energy: -91.023
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.086
local terms energy: -66.348300
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -9.081
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: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -86.781899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.781899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.781899 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -29.223
Base-Backbone interact. energy: -1.176
local terms energy: -45.715604
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -90.449221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.449221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.449221 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.198
local terms energy: -57.962585
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -88.634427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.634427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.634427 (E_RNA)
where:
Base-Base interactions energy: -35.537
where: short stacking energy: -34.978
Base-Backbone interact. energy: -0.509
local terms energy: -52.588571
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -71.134568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.134568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.134568 (E_RNA)
where:
Base-Base interactions energy: -26.282
where: short stacking energy: -16.213
Base-Backbone interact. energy: -0.178
local terms energy: -44.674431
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -5.979
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: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -230.786779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.786779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.786779 (E_RNA)
where:
Base-Base interactions energy: -151.722
where: short stacking energy: -74.864
Base-Backbone interact. energy: -0.001
local terms energy: -79.064711
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -218.768730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.768730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.768730 (E_RNA)
where:
Base-Base interactions energy: -146.313
where: short stacking energy: -74.674
Base-Backbone interact. energy: -0.003
local terms energy: -72.452567
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -175.608290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.608290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.608290 (E_RNA)
where:
Base-Base interactions energy: -105.468
where: short stacking energy: -52.104
Base-Backbone interact. energy: -0.526
local terms energy: -69.614709
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -174.506043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.506043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.506043 (E_RNA)
where:
Base-Base interactions energy: -100.753
where: short stacking energy: -56.971
Base-Backbone interact. energy: -0.107
local terms energy: -73.645414
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -168.948349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.948349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.948349 (E_RNA)
where:
Base-Base interactions energy: -102.964
where: short stacking energy: -43.654
Base-Backbone interact. energy: -0.520
local terms energy: -65.463772
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -9.354
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: 49
Temperature: 1.150000
Total energy: -143.418781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.418781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.418781 (E_RNA)
where:
Base-Base interactions energy: -84.718
where: short stacking energy: -45.973
Base-Backbone interact. energy: 2.332
local terms energy: -61.032738
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -10.158
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: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -87.917141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.917141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.917141 (E_RNA)
where:
Base-Base interactions energy: -32.350
where: short stacking energy: -31.719
Base-Backbone interact. energy: -0.105
local terms energy: -55.462162
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -96.642132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.642132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.642132 (E_RNA)
where:
Base-Base interactions energy: -47.003
where: short stacking energy: -34.772
Base-Backbone interact. energy: 1.077
local terms energy: -50.716340
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -6.629
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: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -82.806913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.806913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.806913 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -24.924
Base-Backbone interact. energy: -1.051
local terms energy: -43.507864
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -72.615729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.615729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.615729 (E_RNA)
where:
Base-Base interactions energy: -23.558
where: short stacking energy: -20.435
Base-Backbone interact. energy: -0.255
local terms energy: -48.802859
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -1.422
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: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -233.542212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.542212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.542212 (E_RNA)
where:
Base-Base interactions energy: -157.731
where: short stacking energy: -80.705
Base-Backbone interact. energy: -0.004
local terms energy: -75.806783
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -213.424096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.424096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.424096 (E_RNA)
where:
Base-Base interactions energy: -133.673
where: short stacking energy: -64.042
Base-Backbone interact. energy: -0.000
local terms energy: -79.750840
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -9.743
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: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -171.575679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.575679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.575679 (E_RNA)
where:
Base-Base interactions energy: -105.190
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.098
local terms energy: -66.286959
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -14.376
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: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -163.334359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.334359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.334359 (E_RNA)
where:
Base-Base interactions energy: -98.169
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.464
local terms energy: -64.700797
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -137.179223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.179223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.179223 (E_RNA)
where:
Base-Base interactions energy: -78.730
where: short stacking energy: -46.496
Base-Backbone interact. energy: -0.058
local terms energy: -58.390922
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -10.114
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: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -150.461387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.461387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.461387 (E_RNA)
where:
Base-Base interactions energy: -86.597
where: short stacking energy: -36.882
Base-Backbone interact. energy: -0.157
local terms energy: -63.707166
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -79.887046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.887046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.887046 (E_RNA)
where:
Base-Base interactions energy: -32.271
where: short stacking energy: -25.602
Base-Backbone interact. energy: -0.658
local terms energy: -46.958641
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -0.585
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: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -93.648234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.648234 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.421
local terms energy: -57.068828
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -6.058
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: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -82.276723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.276723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.276723 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -32.717
Base-Backbone interact. energy: 0.796
local terms energy: -48.632198
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -78.336887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.336887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.336887 (E_RNA)
where:
Base-Base interactions energy: -26.958
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.031
local terms energy: -51.347354
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -10.676
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: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -231.899172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.899172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.899172 (E_RNA)
where:
Base-Base interactions energy: -153.473
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.001
local terms energy: -78.425273
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -215.513804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.513804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.513804 (E_RNA)
where:
Base-Base interactions energy: -138.129
where: short stacking energy: -60.664
Base-Backbone interact. energy: -0.110
local terms energy: -77.274468
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.735
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: 3, replica: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -171.129225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.129225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.129225 (E_RNA)
where:
Base-Base interactions energy: -96.075
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.001
local terms energy: -75.053782
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -8.999
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: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -139.890372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.890372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.890372 (E_RNA)
where:
Base-Base interactions energy: -87.999
where: short stacking energy: -40.271
Base-Backbone interact. energy: -0.206
local terms energy: -51.686031
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -149.121888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.121888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.121888 (E_RNA)
where:
Base-Base interactions energy: -89.122
where: short stacking energy: -47.516
Base-Backbone interact. energy: -0.209
local terms energy: -59.791037
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -6.999
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: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -100.037817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.037817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.037817 (E_RNA)
where:
Base-Base interactions energy: -46.818
where: short stacking energy: -31.303
Base-Backbone interact. energy: -0.156
local terms energy: -53.064370
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -10.183
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: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -102.173788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.173788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.173788 (E_RNA)
where:
Base-Base interactions energy: -55.353
where: short stacking energy: -33.561
Base-Backbone interact. energy: 0.404
local terms energy: -47.224735
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -81.750967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.750967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.750967 (E_RNA)
where:
Base-Base interactions energy: -32.185
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.065
local terms energy: -49.501054
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -75.509433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.509433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.509433 (E_RNA)
where:
Base-Base interactions energy: -23.529
where: short stacking energy: -13.676
Base-Backbone interact. energy: 0.444
local terms energy: -52.424684
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -76.197873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.197873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.197873 (E_RNA)
where:
Base-Base interactions energy: -31.874
where: short stacking energy: -24.944
Base-Backbone interact. energy: -0.195
local terms energy: -44.128279
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -236.129243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.129243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.129243 (E_RNA)
where:
Base-Base interactions energy: -156.259
where: short stacking energy: -73.398
Base-Backbone interact. energy: -0.042
local terms energy: -79.828774
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -7.958
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: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -215.701489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.701489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.701489 (E_RNA)
where:
Base-Base interactions energy: -138.848
where: short stacking energy: -73.800
Base-Backbone interact. energy: -0.001
local terms energy: -76.852964
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -18.664
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: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -172.642595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.642595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.642595 (E_RNA)
where:
Base-Base interactions energy: -99.791
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.272
local terms energy: -72.578737
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -11.194
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: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -160.851939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.851939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.851939 (E_RNA)
where:
Base-Base interactions energy: -105.964
where: short stacking energy: -40.786
Base-Backbone interact. energy: -0.317
local terms energy: -54.571277
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -131.847377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.847377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.847377 (E_RNA)
where:
Base-Base interactions energy: -71.743
where: short stacking energy: -43.712
Base-Backbone interact. energy: -0.771
local terms energy: -59.333641
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -6.651
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: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -128.525826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.525826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.525826 (E_RNA)
where:
Base-Base interactions energy: -65.031
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.585
local terms energy: -62.909710
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.683
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: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -87.986437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.986437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.986437 (E_RNA)
where:
Base-Base interactions energy: -38.590
where: short stacking energy: -38.357
Base-Backbone interact. energy: -0.358
local terms energy: -49.037812
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -85.048363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048363 (E_RNA)
where:
Base-Base interactions energy: -42.429
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.147
local terms energy: -42.473213
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -82.805988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805988 (E_RNA)
where:
Base-Base interactions energy: -28.313
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.044
local terms energy: -54.448775
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -95.721163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.721163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.721163 (E_RNA)
where:
Base-Base interactions energy: -44.876
where: short stacking energy: -22.076
Base-Backbone interact. energy: -0.586
local terms energy: -50.258865
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -235.806154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.806154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.806154 (E_RNA)
where:
Base-Base interactions energy: -152.460
where: short stacking energy: -69.055
Base-Backbone interact. energy: -0.015
local terms energy: -83.331096
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -21.208
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: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -213.148042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.148042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.148042 (E_RNA)
where:
Base-Base interactions energy: -133.255
where: short stacking energy: -74.171
Base-Backbone interact. energy: -0.575
local terms energy: -79.318227
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -175.015579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.015579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.015579 (E_RNA)
where:
Base-Base interactions energy: -107.917
where: short stacking energy: -63.362
Base-Backbone interact. energy: -0.009
local terms energy: -67.089396
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -157.767471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.767471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.767471 (E_RNA)
where:
Base-Base interactions energy: -92.407
where: short stacking energy: -45.943
Base-Backbone interact. energy: -0.912
local terms energy: -64.448366
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -11.012
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: 53
Temperature: 1.100000
Total energy: -147.657743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.657743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.657743 (E_RNA)
where:
Base-Base interactions energy: -83.208
where: short stacking energy: -38.558
Base-Backbone interact. energy: -0.186
local terms energy: -64.263213
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -118.871512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.871512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.871512 (E_RNA)
where:
Base-Base interactions energy: -58.569
where: short stacking energy: -31.739
Base-Backbone interact. energy: -0.847
local terms energy: -59.455882
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -6.060
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: 53
Temperature: 1.200000
Total energy: -84.450478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.450478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.450478 (E_RNA)
where:
Base-Base interactions energy: -38.348
where: short stacking energy: -34.881
Base-Backbone interact. energy: -0.139
local terms energy: -45.963665
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -2.777
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -82.736814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.736814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.736814 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -31.167
Base-Backbone interact. energy: -0.125
local terms energy: -50.909391
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -82.993090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.993090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.993090 (E_RNA)
where:
Base-Base interactions energy: -27.547
where: short stacking energy: -21.565
Base-Backbone interact. energy: -0.054
local terms energy: -55.392096
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -1.301
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: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -83.253529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.253529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.253529 (E_RNA)
where:
Base-Base interactions energy: -29.973
where: short stacking energy: -24.516
Base-Backbone interact. energy: 1.022
local terms energy: -54.301989
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -2.976
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: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -235.131378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.131378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.131378 (E_RNA)
where:
Base-Base interactions energy: -151.781
where: short stacking energy: -76.383
Base-Backbone interact. energy: -0.007
local terms energy: -83.343478
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -12.719
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: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -212.859136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.859136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.859136 (E_RNA)
where:
Base-Base interactions energy: -134.467
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.059
local terms energy: -78.333043
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -154.291497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.291497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.291497 (E_RNA)
where:
Base-Base interactions energy: -88.431
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.115
local terms energy: -65.745583
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -177.614623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.614623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.614623 (E_RNA)
where:
Base-Base interactions energy: -110.839
where: short stacking energy: -66.341
Base-Backbone interact. energy: -0.020
local terms energy: -66.754972
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -175.504330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.504330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.504330 (E_RNA)
where:
Base-Base interactions energy: -112.212
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.051
local terms energy: -63.241330
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -8.469
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -93.919725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.919725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.919725 (E_RNA)
where:
Base-Base interactions energy: -37.164
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.041
local terms energy: -56.715408
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -7.271
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -91.659229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.659229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.659229 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -36.744
Base-Backbone interact. energy: -0.011
local terms energy: -53.153528
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -92.128921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.128921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.128921 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.196
local terms energy: -55.177642
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -91.919138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.919138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.919138 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -21.527
Base-Backbone interact. energy: -0.101
local terms energy: -56.422670
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -1.421
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -76.190757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.190757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.190757 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -26.643
Base-Backbone interact. energy: 0.069
local terms energy: -47.821661
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -7.269
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: 55
Temperature: 0.900000
Total energy: -232.371726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.371726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.371726 (E_RNA)
where:
Base-Base interactions energy: -151.592
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.002
local terms energy: -80.778102
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -10.306
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -214.186546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.186546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.186546 (E_RNA)
where:
Base-Base interactions energy: -138.692
where: short stacking energy: -74.093
Base-Backbone interact. energy: -0.051
local terms energy: -75.443908
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -164.171751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.171751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.171751 (E_RNA)
where:
Base-Base interactions energy: -99.478
where: short stacking energy: -47.986
Base-Backbone interact. energy: -0.512
local terms energy: -64.181017
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -205.858955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.858955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.858955 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.010
local terms energy: -70.468925
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.656
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: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -166.114663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.114663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.114663 (E_RNA)
where:
Base-Base interactions energy: -95.451
where: short stacking energy: -57.321
Base-Backbone interact. energy: -0.029
local terms energy: -70.634862
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.672
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: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -90.266521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.266521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.266521 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -39.463
Base-Backbone interact. energy: 3.621
local terms energy: -54.425204
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -106.520174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.520174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.520174 (E_RNA)
where:
Base-Base interactions energy: -50.913
where: short stacking energy: -50.913
Base-Backbone interact. energy: -0.168
local terms energy: -55.439522
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -10.932
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: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -91.800469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.800469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.800469 (E_RNA)
where:
Base-Base interactions energy: -35.754
where: short stacking energy: -22.816
Base-Backbone interact. energy: -0.058
local terms energy: -55.988314
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -76.875427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.875427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.875427 (E_RNA)
where:
Base-Base interactions energy: -30.444
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.073
local terms energy: -46.359217
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -68.744276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.744276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.744276 (E_RNA)
where:
Base-Base interactions energy: -23.815
where: short stacking energy: -23.222
Base-Backbone interact. energy: -0.244
local terms energy: -44.685107
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -234.255788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.255788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.255788 (E_RNA)
where:
Base-Base interactions energy: -150.871
where: short stacking energy: -72.765
Base-Backbone interact. energy: 0.282
local terms energy: -83.666619
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -211.291422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.291422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.291422 (E_RNA)
where:
Base-Base interactions energy: -140.990
where: short stacking energy: -65.115
Base-Backbone interact. energy: -0.053
local terms energy: -70.248040
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -19.657
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: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -216.801598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.801598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.801598 (E_RNA)
where:
Base-Base interactions energy: -137.477
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.018
local terms energy: -79.306576
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -154.970836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.970836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.970836 (E_RNA)
where:
Base-Base interactions energy: -97.237
where: short stacking energy: -39.775
Base-Backbone interact. energy: 0.019
local terms energy: -57.753299
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -8.913
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: 56
Temperature: 1.100000
Total energy: -151.546852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.546852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.546852 (E_RNA)
where:
Base-Base interactions energy: -92.644
where: short stacking energy: -34.939
Base-Backbone interact. energy: -0.045
local terms energy: -58.858221
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -4.430
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: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -115.693949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.693949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.693949 (E_RNA)
where:
Base-Base interactions energy: -61.350
where: short stacking energy: -35.326
Base-Backbone interact. energy: 1.809
local terms energy: -56.152670
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -83.108662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.108662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.108662 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.141
local terms energy: -53.461229
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -82.708784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.708784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.708784 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.878
local terms energy: -47.535100
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -79.615540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.615540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.615540 (E_RNA)
where:
Base-Base interactions energy: -27.637
where: short stacking energy: -27.637
Base-Backbone interact. energy: 0.211
local terms energy: -52.189779
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -5.414
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: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -76.405846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405846 (E_RNA)
where:
Base-Base interactions energy: -22.701
where: short stacking energy: -21.627
Base-Backbone interact. energy: -0.274
local terms energy: -53.430902
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -230.383343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.383343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.383343 (E_RNA)
where:
Base-Base interactions energy: -150.416
where: short stacking energy: -77.338
Base-Backbone interact. energy: -0.000
local terms energy: -79.967210
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -214.562867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.562867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.562867 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -72.995
Base-Backbone interact. energy: -0.158
local terms energy: -74.303824
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -210.399655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399655 (E_RNA)
where:
Base-Base interactions energy: -137.748
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.123
local terms energy: -72.529264
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -149.651095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.651095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.651095 (E_RNA)
where:
Base-Base interactions energy: -79.760
where: short stacking energy: -38.377
Base-Backbone interact. energy: -0.262
local terms energy: -69.628450
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -162.411156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.411156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.411156 (E_RNA)
where:
Base-Base interactions energy: -102.246
where: short stacking energy: -41.479
Base-Backbone interact. energy: -0.600
local terms energy: -59.564735
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -99.345649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.345649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.345649 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -39.152
Base-Backbone interact. energy: -0.097
local terms energy: -57.760816
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -121.908736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.908736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.908736 (E_RNA)
where:
Base-Base interactions energy: -64.333
where: short stacking energy: -37.326
Base-Backbone interact. energy: 0.442
local terms energy: -58.017193
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -81.202771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.202771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.202771 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -34.165
Base-Backbone interact. energy: 1.051
local terms energy: -47.889364
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.158
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: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -86.307599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.307599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.307599 (E_RNA)
where:
Base-Base interactions energy: -38.275
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.185
local terms energy: -47.846912
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -81.509167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.509167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.509167 (E_RNA)
where:
Base-Base interactions energy: -30.557
where: short stacking energy: -29.479
Base-Backbone interact. energy: 0.397
local terms energy: -51.349710
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -6.012
flat angles P-C4'-P energy: -8.247
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: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -230.855725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.855725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.855725 (E_RNA)
where:
Base-Base interactions energy: -153.903
where: short stacking energy: -77.365
Base-Backbone interact. energy: -0.042
local terms energy: -76.910195
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -215.871148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871148 (E_RNA)
where:
Base-Base interactions energy: -136.411
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.037
local terms energy: -79.423188
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -21.810
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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -203.976313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.976313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.976313 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -68.849
Base-Backbone interact. energy: -0.226
local terms energy: -71.855882
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -21.510
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: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -163.674742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.674742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.674742 (E_RNA)
where:
Base-Base interactions energy: -99.687
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.153
local terms energy: -63.834294
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -156.954766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.954766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.954766 (E_RNA)
where:
Base-Base interactions energy: -98.901
where: short stacking energy: -41.652
Base-Backbone interact. energy: -0.042
local terms energy: -58.012208
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.469
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: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -95.981624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.981624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.981624 (E_RNA)
where:
Base-Base interactions energy: -48.798
where: short stacking energy: -40.775
Base-Backbone interact. energy: -0.001
local terms energy: -47.182463
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -93.572187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.572187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.572187 (E_RNA)
where:
Base-Base interactions energy: -37.399
where: short stacking energy: -37.399
Base-Backbone interact. energy: -0.007
local terms energy: -56.165781
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -97.543720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543720 (E_RNA)
where:
Base-Base interactions energy: -41.946
where: short stacking energy: -27.855
Base-Backbone interact. energy: 0.274
local terms energy: -55.871217
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -73.607308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.607308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.607308 (E_RNA)
where:
Base-Base interactions energy: -23.669
where: short stacking energy: -19.379
Base-Backbone interact. energy: 0.733
local terms energy: -50.670738
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: 1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -73.925275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.925275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.925275 (E_RNA)
where:
Base-Base interactions energy: -22.752
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.068
local terms energy: -51.105162
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -228.267370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.267370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.267370 (E_RNA)
where:
Base-Base interactions energy: -143.928
where: short stacking energy: -76.811
Base-Backbone interact. energy: -0.005
local terms energy: -84.334515
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -211.937002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.937002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.937002 (E_RNA)
where:
Base-Base interactions energy: -137.330
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.131
local terms energy: -74.475367
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -202.574336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.574336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.574336 (E_RNA)
where:
Base-Base interactions energy: -128.256
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.334
local terms energy: -73.984885
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -164.144040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.144040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.144040 (E_RNA)
where:
Base-Base interactions energy: -93.024
where: short stacking energy: -52.437
Base-Backbone interact. energy: -0.098
local terms energy: -71.022379
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -11.660
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: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -158.840275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.840275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.840275 (E_RNA)
where:
Base-Base interactions energy: -102.019
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.931
local terms energy: -55.890096
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -118.046852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.046852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.046852 (E_RNA)
where:
Base-Base interactions energy: -58.400
where: short stacking energy: -43.504
Base-Backbone interact. energy: -0.601
local terms energy: -59.046346
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -10.690
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -91.696338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.696338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.696338 (E_RNA)
where:
Base-Base interactions energy: -41.499
where: short stacking energy: -31.457
Base-Backbone interact. energy: -0.190
local terms energy: -50.007915
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -5.026
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: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -97.808139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.808139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.808139 (E_RNA)
where:
Base-Base interactions energy: -43.750
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.135
local terms energy: -53.923515
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -4.256
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: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -75.624144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.624144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.624144 (E_RNA)
where:
Base-Base interactions energy: -23.177
where: short stacking energy: -23.177
Base-Backbone interact. energy: -0.059
local terms energy: -52.388416
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -9.778
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: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -87.862098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.862098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.862098 (E_RNA)
where:
Base-Base interactions energy: -34.842
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.273
local terms energy: -52.746943
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -234.228493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.228493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.228493 (E_RNA)
where:
Base-Base interactions energy: -153.421
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.002
local terms energy: -80.805504
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -213.909693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.909693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.909693 (E_RNA)
where:
Base-Base interactions energy: -142.213
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.083
local terms energy: -71.614019
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -13.507
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -206.029501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.029501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.029501 (E_RNA)
where:
Base-Base interactions energy: -129.147
where: short stacking energy: -66.357
Base-Backbone interact. energy: 2.739
local terms energy: -79.621831
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -132.040636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.040636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.040636 (E_RNA)
where:
Base-Base interactions energy: -66.661
where: short stacking energy: -34.681
Base-Backbone interact. energy: -0.198
local terms energy: -65.181230
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -9.313
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: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -153.753784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.753784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.753784 (E_RNA)
where:
Base-Base interactions energy: -89.522
where: short stacking energy: -49.255
Base-Backbone interact. energy: -0.105
local terms energy: -64.126129
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -11.834
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: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -101.190588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.190588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.190588 (E_RNA)
where:
Base-Base interactions energy: -43.292
where: short stacking energy: -43.292
Base-Backbone interact. energy: 0.124
local terms energy: -58.023061
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -84.924712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924712 (E_RNA)
where:
Base-Base interactions energy: -31.480
where: short stacking energy: -29.656
Base-Backbone interact. energy: -1.401
local terms energy: -52.043556
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -80.016445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.016445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.016445 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -23.532
Base-Backbone interact. energy: -0.513
local terms energy: -48.641482
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -79.385473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.385473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.385473 (E_RNA)
where:
Base-Base interactions energy: -27.082
where: short stacking energy: -23.387
Base-Backbone interact. energy: -0.726
local terms energy: -51.576959
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -2.440
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: 60
Temperature: 1.350000
Total energy: -73.148450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.148450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.148450 (E_RNA)
where:
Base-Base interactions energy: -24.096
where: short stacking energy: -16.939
Base-Backbone interact. energy: -0.528
local terms energy: -48.524823
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -240.474762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.474762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.474762 (E_RNA)
where:
Base-Base interactions energy: -160.019
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.006
local terms energy: -80.450149
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -202.208156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.208156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.208156 (E_RNA)
where:
Base-Base interactions energy: -130.942
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.105
local terms energy: -71.161148
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -206.674631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.674631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.674631 (E_RNA)
where:
Base-Base interactions energy: -130.170
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.622
local terms energy: -75.883275
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -20.747
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: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -161.508197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.508197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.508197 (E_RNA)
where:
Base-Base interactions energy: -91.304
where: short stacking energy: -51.876
Base-Backbone interact. energy: -0.010
local terms energy: -70.194409
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -124.242754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.242754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.242754 (E_RNA)
where:
Base-Base interactions energy: -72.204
where: short stacking energy: -29.691
Base-Backbone interact. energy: -0.141
local terms energy: -51.896981
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -95.033923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.033923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.033923 (E_RNA)
where:
Base-Base interactions energy: -39.312
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.197
local terms energy: -55.525222
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.348
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: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -88.447813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.447813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.447813 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -22.989
Base-Backbone interact. energy: -0.046
local terms energy: -57.332612
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -10.652
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: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -77.217784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.217784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.217784 (E_RNA)
where:
Base-Base interactions energy: -24.387
where: short stacking energy: -18.919
Base-Backbone interact. energy: -0.021
local terms energy: -52.809794
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.909
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: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -81.946873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.946873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.946873 (E_RNA)
where:
Base-Base interactions energy: -31.666
where: short stacking energy: -18.581
Base-Backbone interact. energy: -0.088
local terms energy: -50.192831
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -2.254
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: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -77.144391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.144391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.144391 (E_RNA)
where:
Base-Base interactions energy: -31.185
where: short stacking energy: -25.047
Base-Backbone interact. energy: -0.074
local terms energy: -45.884469
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -236.078630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.078630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.078630 (E_RNA)
where:
Base-Base interactions energy: -158.185
where: short stacking energy: -77.930
Base-Backbone interact. energy: -0.001
local terms energy: -77.892532
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -7.222
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: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -208.458461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.458461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.458461 (E_RNA)
where:
Base-Base interactions energy: -134.065
where: short stacking energy: -68.385
Base-Backbone interact. energy: -0.004
local terms energy: -74.389391
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.766
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: 62
Temperature: 1.000000
Total energy: -212.856387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.856387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856387 (E_RNA)
where:
Base-Base interactions energy: -137.116
where: short stacking energy: -71.100
Base-Backbone interact. energy: -0.002
local terms energy: -75.737778
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -20.514
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: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -162.537344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.537344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.537344 (E_RNA)
where:
Base-Base interactions energy: -92.730
where: short stacking energy: -49.797
Base-Backbone interact. energy: -1.124
local terms energy: -68.682608
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -130.945056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.945056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.945056 (E_RNA)
where:
Base-Base interactions energy: -70.541
where: short stacking energy: -35.734
Base-Backbone interact. energy: -0.008
local terms energy: -60.396680
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -97.600177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600177 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.164
local terms energy: -56.975301
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -80.844659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.844659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.844659 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -27.114
Base-Backbone interact. energy: 0.039
local terms energy: -44.868652
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -85.174307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.174307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.174307 (E_RNA)
where:
Base-Base interactions energy: -35.440
where: short stacking energy: -35.440
Base-Backbone interact. energy: -0.010
local terms energy: -49.724002
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -66.857764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.857764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.857764 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -11.116
Base-Backbone interact. energy: 1.237
local terms energy: -42.944133
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -8.624
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: 3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.877821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.877821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.877821 (E_RNA)
where:
Base-Base interactions energy: -24.055
where: short stacking energy: -20.892
Base-Backbone interact. energy: 0.256
local terms energy: -57.079081
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -7.588
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: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -234.370701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.370701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.370701 (E_RNA)
where:
Base-Base interactions energy: -156.599
where: short stacking energy: -75.291
Base-Backbone interact. energy: -0.001
local terms energy: -77.771466
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -216.314055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.314055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.314055 (E_RNA)
where:
Base-Base interactions energy: -139.682
where: short stacking energy: -68.348
Base-Backbone interact. energy: -0.001
local terms energy: -76.631136
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -213.585087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.585087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.585087 (E_RNA)
where:
Base-Base interactions energy: -135.021
where: short stacking energy: -69.215
Base-Backbone interact. energy: 0.109
local terms energy: -78.672929
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -149.978357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.978357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.978357 (E_RNA)
where:
Base-Base interactions energy: -83.750
where: short stacking energy: -43.597
Base-Backbone interact. energy: -0.003
local terms energy: -66.224635
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -13.517
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: 63
Temperature: 1.100000
Total energy: -143.489293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.489293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.489293 (E_RNA)
where:
Base-Base interactions energy: -77.272
where: short stacking energy: -40.934
Base-Backbone interact. energy: -0.208
local terms energy: -66.009178
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -95.498589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.498589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.498589 (E_RNA)
where:
Base-Base interactions energy: -44.053
where: short stacking energy: -43.096
Base-Backbone interact. energy: 1.457
local terms energy: -52.902327
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -83.936742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.936742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.936742 (E_RNA)
where:
Base-Base interactions energy: -31.437
where: short stacking energy: -31.361
Base-Backbone interact. energy: -1.229
local terms energy: -51.270566
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -4.535
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: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -83.392942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.392942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.392942 (E_RNA)
where:
Base-Base interactions energy: -39.640
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.044
local terms energy: -43.709605
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -1.895
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -88.626421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.626421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.626421 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -23.123
Base-Backbone interact. energy: -0.834
local terms energy: -57.127010
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.821835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.821835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.821835 (E_RNA)
where:
Base-Base interactions energy: -38.328
where: short stacking energy: -27.099
Base-Backbone interact. energy: -2.490
local terms energy: -45.003574
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -7.371
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: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -236.336951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.336951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.336951 (E_RNA)
where:
Base-Base interactions energy: -151.616
where: short stacking energy: -71.346
Base-Backbone interact. energy: -0.003
local terms energy: -84.717461
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -211.427292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.427292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.427292 (E_RNA)
where:
Base-Base interactions energy: -132.900
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.006
local terms energy: -78.521634
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -207.252247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.252247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.252247 (E_RNA)
where:
Base-Base interactions energy: -134.859
where: short stacking energy: -59.953
Base-Backbone interact. energy: -0.152
local terms energy: -72.240549
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -162.269429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.269429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.269429 (E_RNA)
where:
Base-Base interactions energy: -88.195
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.040
local terms energy: -74.034410
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -132.615185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.615185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.615185 (E_RNA)
where:
Base-Base interactions energy: -76.153
where: short stacking energy: -48.760
Base-Backbone interact. energy: -0.109
local terms energy: -56.353531
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -130.993287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.993287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.993287 (E_RNA)
where:
Base-Base interactions energy: -70.855
where: short stacking energy: -40.818
Base-Backbone interact. energy: 0.571
local terms energy: -60.708702
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -97.625753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.625753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.625753 (E_RNA)
where:
Base-Base interactions energy: -49.123
where: short stacking energy: -44.906
Base-Backbone interact. energy: -0.145
local terms energy: -48.357018
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -82.985918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.985918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.985918 (E_RNA)
where:
Base-Base interactions energy: -33.562
where: short stacking energy: -33.111
Base-Backbone interact. energy: 0.358
local terms energy: -49.781627
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -88.354971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.354971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.354971 (E_RNA)
where:
Base-Base interactions energy: -43.566
where: short stacking energy: -14.536
Base-Backbone interact. energy: -1.762
local terms energy: -43.026860
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -80.814075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.814075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.814075 (E_RNA)
where:
Base-Base interactions energy: -25.259
where: short stacking energy: -25.259
Base-Backbone interact. energy: -0.064
local terms energy: -55.491380
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -224.636058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.636058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.636058 (E_RNA)
where:
Base-Base interactions energy: -141.264
where: short stacking energy: -68.965
Base-Backbone interact. energy: -0.073
local terms energy: -83.298649
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -207.819129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.819129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.819129 (E_RNA)
where:
Base-Base interactions energy: -130.360
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.062
local terms energy: -77.396725
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -18.870
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -206.393043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.393043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.393043 (E_RNA)
where:
Base-Base interactions energy: -135.418
where: short stacking energy: -68.603
Base-Backbone interact. energy: -0.096
local terms energy: -70.878805
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.149
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: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -150.954166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.954166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.954166 (E_RNA)
where:
Base-Base interactions energy: -90.376
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.039
local terms energy: -60.539035
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -128.988642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.988642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.988642 (E_RNA)
where:
Base-Base interactions energy: -72.834
where: short stacking energy: -36.359
Base-Backbone interact. energy: -0.028
local terms energy: -56.126934
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -105.013802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.013802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.013802 (E_RNA)
where:
Base-Base interactions energy: -53.674
where: short stacking energy: -41.678
Base-Backbone interact. energy: 0.365
local terms energy: -51.705079
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -94.112310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.112310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.112310 (E_RNA)
where:
Base-Base interactions energy: -43.354
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.304
local terms energy: -50.453858
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -4.811
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: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -92.749364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.749364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.749364 (E_RNA)
where:
Base-Base interactions energy: -29.556
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.104
local terms energy: -63.089492
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -74.574842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.574842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.574842 (E_RNA)
where:
Base-Base interactions energy: -33.682
where: short stacking energy: -21.496
Base-Backbone interact. energy: -0.204
local terms energy: -40.687997
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -6.910
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: 2.439
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: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -90.706777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706777 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.797
local terms energy: -57.663305
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -219.492497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.492497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.492497 (E_RNA)
where:
Base-Base interactions energy: -141.078
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.002
local terms energy: -78.413033
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -24.059
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: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -224.431269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.431269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.431269 (E_RNA)
where:
Base-Base interactions energy: -151.922
where: short stacking energy: -73.389
Base-Backbone interact. energy: -0.094
local terms energy: -72.415706
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -206.100682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.100682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.100682 (E_RNA)
where:
Base-Base interactions energy: -136.830
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.003
local terms energy: -69.266780
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -20.901
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: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -153.361489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.361489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.361489 (E_RNA)
where:
Base-Base interactions energy: -86.522
where: short stacking energy: -52.480
Base-Backbone interact. energy: -0.299
local terms energy: -66.540931
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -13.779
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: 66
Temperature: 1.100000
Total energy: -124.396881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.396881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.396881 (E_RNA)
where:
Base-Base interactions energy: -65.519
where: short stacking energy: -39.858
Base-Backbone interact. energy: -0.004
local terms energy: -58.874216
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -105.528582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.528582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.528582 (E_RNA)
where:
Base-Base interactions energy: -49.578
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.013
local terms energy: -55.937535
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -95.916533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.916533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.916533 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -38.239
Base-Backbone interact. energy: -0.124
local terms energy: -57.326841
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -90.405393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.405393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.405393 (E_RNA)
where:
Base-Base interactions energy: -35.085
where: short stacking energy: -24.768
Base-Backbone interact. energy: 1.327
local terms energy: -56.647787
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -80.733010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.733010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.733010 (E_RNA)
where:
Base-Base interactions energy: -24.866
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.053
local terms energy: -55.813972
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -7.907
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: 66
Temperature: 1.350000
Total energy: -81.335306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.335306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.335306 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -29.793
Base-Backbone interact. energy: -0.001
local terms energy: -51.541935
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -221.985327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.985327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.985327 (E_RNA)
where:
Base-Base interactions energy: -146.131
where: short stacking energy: -77.437
Base-Backbone interact. energy: -0.014
local terms energy: -75.840605
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -7.812
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: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -216.876386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.876386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.876386 (E_RNA)
where:
Base-Base interactions energy: -137.889
where: short stacking energy: -67.685
Base-Backbone interact. energy: -0.004
local terms energy: -78.983650
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -219.829808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.829808 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.000
local terms energy: -80.815868
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -22.580
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: 67
Temperature: 1.050000
Total energy: -183.863112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.863112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.863112 (E_RNA)
where:
Base-Base interactions energy: -118.126
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.021
local terms energy: -65.715824
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -13.416
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: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -142.915537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.915537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.915537 (E_RNA)
where:
Base-Base interactions energy: -75.626
where: short stacking energy: -47.627
Base-Backbone interact. energy: -0.470
local terms energy: -66.819261
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.611
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -104.271608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.271608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.271608 (E_RNA)
where:
Base-Base interactions energy: -52.444
where: short stacking energy: -36.936
Base-Backbone interact. energy: 0.041
local terms energy: -51.868722
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -5.720
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: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -92.593890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.593890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.593890 (E_RNA)
where:
Base-Base interactions energy: -47.580
where: short stacking energy: -19.106
Base-Backbone interact. energy: -0.216
local terms energy: -44.797708
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -8.845
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -83.639484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.639484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.639484 (E_RNA)
where:
Base-Base interactions energy: -28.364
where: short stacking energy: -25.591
Base-Backbone interact. energy: -0.218
local terms energy: -55.057865
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.834
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: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -70.534801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.534801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.534801 (E_RNA)
where:
Base-Base interactions energy: -25.001
where: short stacking energy: -21.822
Base-Backbone interact. energy: -0.421
local terms energy: -45.113164
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -8.482
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -79.528945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.528945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.528945 (E_RNA)
where:
Base-Base interactions energy: -37.952
where: short stacking energy: -12.731
Base-Backbone interact. energy: -0.544
local terms energy: -41.033416
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -219.219671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.219671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.219671 (E_RNA)
where:
Base-Base interactions energy: -145.353
where: short stacking energy: -76.530
Base-Backbone interact. energy: -0.019
local terms energy: -73.848223
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -207.334611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.334611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.334611 (E_RNA)
where:
Base-Base interactions energy: -133.687
where: short stacking energy: -67.623
Base-Backbone interact. energy: 0.111
local terms energy: -73.759410
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -225.254994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.254994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.254994 (E_RNA)
where:
Base-Base interactions energy: -147.471
where: short stacking energy: -70.138
Base-Backbone interact. energy: -1.432
local terms energy: -76.351750
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -161.486917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.486917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.486917 (E_RNA)
where:
Base-Base interactions energy: -92.172
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.936
local terms energy: -68.379152
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -131.088978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.088978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.088978 (E_RNA)
where:
Base-Base interactions energy: -70.999
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.167
local terms energy: -59.923389
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -7.475
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: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -86.677014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.677014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.677014 (E_RNA)
where:
Base-Base interactions energy: -31.455
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.118
local terms energy: -55.104659
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -1.668
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: 68
Temperature: 1.200000
Total energy: -94.419902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.419902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.419902 (E_RNA)
where:
Base-Base interactions energy: -41.813
where: short stacking energy: -35.898
Base-Backbone interact. energy: -0.160
local terms energy: -52.446493
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -8.831
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: 68
Temperature: 1.250000
Total energy: -89.867892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.867892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.867892 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -36.756
Base-Backbone interact. energy: -0.034
local terms energy: -53.077682
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -6.482
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: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -72.140447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.140447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.140447 (E_RNA)
where:
Base-Base interactions energy: -27.177
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.110
local terms energy: -44.853518
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -1.553
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: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -74.478954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.478954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.478954 (E_RNA)
where:
Base-Base interactions energy: -28.261
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.203
local terms energy: -46.014959
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -7.668
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -209.613677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.613677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.613677 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.029
local terms energy: -77.508248
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -235.051377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.051377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.051377 (E_RNA)
where:
Base-Base interactions energy: -158.135
where: short stacking energy: -78.268
Base-Backbone interact. energy: -0.200
local terms energy: -76.715877
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -207.304553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.304553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.304553 (E_RNA)
where:
Base-Base interactions energy: -128.841
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.062
local terms energy: -78.401893
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -154.856186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.856186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.856186 (E_RNA)
where:
Base-Base interactions energy: -88.249
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.146
local terms energy: -66.460487
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -11.962
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: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -157.806557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.806557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.806557 (E_RNA)
where:
Base-Base interactions energy: -90.578
where: short stacking energy: -39.287
Base-Backbone interact. energy: -0.403
local terms energy: -66.825435
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -106.192516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.192516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.192516 (E_RNA)
where:
Base-Base interactions energy: -48.125
where: short stacking energy: -34.704
Base-Backbone interact. energy: -0.092
local terms energy: -57.975135
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -9.573
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: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -113.848050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.848050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.848050 (E_RNA)
where:
Base-Base interactions energy: -61.729
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.005
local terms energy: -52.114096
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -82.101421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.101421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.101421 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -19.865
Base-Backbone interact. energy: -0.133
local terms energy: -46.136583
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -97.799361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.799361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.799361 (E_RNA)
where:
Base-Base interactions energy: -47.396
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.151
local terms energy: -50.252482
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -87.665861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665861 (E_RNA)
where:
Base-Base interactions energy: -37.838
where: short stacking energy: -37.838
Base-Backbone interact. energy: -0.053
local terms energy: -49.775028
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -234.586240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.586240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.586240 (E_RNA)
where:
Base-Base interactions energy: -158.415
where: short stacking energy: -75.580
Base-Backbone interact. energy: -0.476
local terms energy: -75.694783
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -19.386
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: 70
Temperature: 0.950000
Total energy: -211.308469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.308469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.308469 (E_RNA)
where:
Base-Base interactions energy: -131.697
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.643
local terms energy: -78.967945
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -201.603346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.603346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.603346 (E_RNA)
where:
Base-Base interactions energy: -123.527
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.001
local terms energy: -78.075357
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -12.188
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: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -191.648886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.648886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.648886 (E_RNA)
where:
Base-Base interactions energy: -129.856
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.296
local terms energy: -61.496886
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -9.104
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: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -169.728654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.728654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.728654 (E_RNA)
where:
Base-Base interactions energy: -98.916
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.008
local terms energy: -70.804053
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -11.852
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: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -137.795286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.795286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.795286 (E_RNA)
where:
Base-Base interactions energy: -80.229
where: short stacking energy: -42.208
Base-Backbone interact. energy: -0.609
local terms energy: -56.957896
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -11.110
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: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -109.169363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.169363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.169363 (E_RNA)
where:
Base-Base interactions energy: -52.561
where: short stacking energy: -32.688
Base-Backbone interact. energy: -0.293
local terms energy: -56.315451
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -77.058180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.058180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.058180 (E_RNA)
where:
Base-Base interactions energy: -25.935
where: short stacking energy: -24.239
Base-Backbone interact. energy: -0.515
local terms energy: -50.608055
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -8.992
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: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -76.159905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.159905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.159905 (E_RNA)
where:
Base-Base interactions energy: -25.592
where: short stacking energy: -24.951
Base-Backbone interact. energy: -0.305
local terms energy: -50.262818
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -69.856098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.856098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.856098 (E_RNA)
where:
Base-Base interactions energy: -23.726
where: short stacking energy: -21.050
Base-Backbone interact. energy: -1.584
local terms energy: -44.545610
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: 6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -234.121868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.121868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.121868 (E_RNA)
where:
Base-Base interactions energy: -150.922
where: short stacking energy: -68.451
Base-Backbone interact. energy: -1.423
local terms energy: -81.776794
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -20.314
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: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -207.301945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.301945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.301945 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.114
local terms energy: -75.849646
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -20.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -205.818254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.818254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.818254 (E_RNA)
where:
Base-Base interactions energy: -132.587
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.158
local terms energy: -73.073757
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.831
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: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -158.726900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.726900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.726900 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.207
local terms energy: -61.724106
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -6.496
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: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -189.633267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.633267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.633267 (E_RNA)
where:
Base-Base interactions energy: -130.947
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.217
local terms energy: -58.469386
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -143.256275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.256275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.256275 (E_RNA)
where:
Base-Base interactions energy: -85.956
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.382
local terms energy: -56.917325
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -5.353
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: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -85.800806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800806 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -32.742
Base-Backbone interact. energy: -0.279
local terms energy: -52.109679
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -83.652573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652573 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.131
local terms energy: -49.537909
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -4.804
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: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -76.496955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.496955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.496955 (E_RNA)
where:
Base-Base interactions energy: -25.880
where: short stacking energy: -25.880
Base-Backbone interact. energy: -0.198
local terms energy: -50.418487
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.820745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.820745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.820745 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -22.811
Base-Backbone interact. energy: -0.650
local terms energy: -44.113903
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -2.704
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: 72
Temperature: 0.900000
Total energy: -236.167220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.167220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.167220 (E_RNA)
where:
Base-Base interactions energy: -158.342
where: short stacking energy: -76.759
Base-Backbone interact. energy: -0.321
local terms energy: -77.504204
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -208.680672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.680672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.680672 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -63.800
Base-Backbone interact. energy: 0.001
local terms energy: -71.993371
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -211.015365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.015365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.015365 (E_RNA)
where:
Base-Base interactions energy: -135.656
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.010
local terms energy: -75.349919
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -163.596564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.596564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.596564 (E_RNA)
where:
Base-Base interactions energy: -91.470
where: short stacking energy: -57.546
Base-Backbone interact. energy: -0.063
local terms energy: -72.063835
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -192.508703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.508703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.508703 (E_RNA)
where:
Base-Base interactions energy: -121.672
where: short stacking energy: -58.081
Base-Backbone interact. energy: 0.903
local terms energy: -71.739723
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.050
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: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -120.876318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.876318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.876318 (E_RNA)
where:
Base-Base interactions energy: -62.566
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.614
local terms energy: -57.695844
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.641
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: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -86.109552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.109552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.109552 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -35.644
Base-Backbone interact. energy: 0.789
local terms energy: -51.254489
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: 0.161
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -89.861161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.861161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.861161 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -29.340
Base-Backbone interact. energy: 0.020
local terms energy: -52.248337
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -13.016
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: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -92.942473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.942473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.942473 (E_RNA)
where:
Base-Base interactions energy: -48.748
where: short stacking energy: -30.484
Base-Backbone interact. energy: -0.072
local terms energy: -44.121915
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -77.176417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.176417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.176417 (E_RNA)
where:
Base-Base interactions energy: -29.628
where: short stacking energy: -22.629
Base-Backbone interact. energy: -0.106
local terms energy: -47.442562
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: 2.647
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: 73
Temperature: 0.900000
Total energy: -237.626538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626538 (E_RNA)
where:
Base-Base interactions energy: -157.723
where: short stacking energy: -78.888
Base-Backbone interact. energy: -0.250
local terms energy: -79.653355
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -214.701819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.701819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.701819 (E_RNA)
where:
Base-Base interactions energy: -137.635
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.016
local terms energy: -77.050518
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -12.016
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -215.487138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.487138 (E_RNA)
where:
Base-Base interactions energy: -148.529
where: short stacking energy: -74.345
Base-Backbone interact. energy: -0.002
local terms energy: -66.955726
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -228.555482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.555482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.555482 (E_RNA)
where:
Base-Base interactions energy: -149.408
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.990
local terms energy: -78.157081
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -20.755
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: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -147.094614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.094614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.094614 (E_RNA)
where:
Base-Base interactions energy: -100.046
where: short stacking energy: -56.319
Base-Backbone interact. energy: 1.225
local terms energy: -48.272999
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -149.417923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.417923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.417923 (E_RNA)
where:
Base-Base interactions energy: -98.600
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.232
local terms energy: -50.585821
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -6.906
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: 73
Temperature: 1.200000
Total energy: -91.201214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.201214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.201214 (E_RNA)
where:
Base-Base interactions energy: -35.866
where: short stacking energy: -35.866
Base-Backbone interact. energy: 1.389
local terms energy: -56.723670
where:
bonds (distance) C4'-P energy: -7.297
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -83.112873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.112873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.112873 (E_RNA)
where:
Base-Base interactions energy: -42.380
where: short stacking energy: -29.463
Base-Backbone interact. energy: -0.089
local terms energy: -40.644309
where:
bonds (distance) C4'-P energy: -5.693
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: 0.048
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -73.317361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.317361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.317361 (E_RNA)
where:
Base-Base interactions energy: -30.803
where: short stacking energy: -25.311
Base-Backbone interact. energy: -0.196
local terms energy: -42.319044
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: 1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -76.687157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.687157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.687157 (E_RNA)
where:
Base-Base interactions energy: -37.556
where: short stacking energy: -18.452
Base-Backbone interact. energy: -0.135
local terms energy: -38.996450
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -5.652
flat angles C4'-P-C4' energy: -8.457
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -236.155967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.155967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.155967 (E_RNA)
where:
Base-Base interactions energy: -160.848
where: short stacking energy: -78.105
Base-Backbone interact. energy: -0.337
local terms energy: -74.970403
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -213.452131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.452131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.452131 (E_RNA)
where:
Base-Base interactions energy: -133.291
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.004
local terms energy: -80.157243
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -13.619
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: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -222.632925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.632925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.632925 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.244
local terms energy: -79.857370
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -19.557
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: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -205.935963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.935963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.935963 (E_RNA)
where:
Base-Base interactions energy: -133.477
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.310
local terms energy: -72.148668
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -147.747313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.747313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.747313 (E_RNA)
where:
Base-Base interactions energy: -89.550
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.756
local terms energy: -57.441136
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -131.273086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.273086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.273086 (E_RNA)
where:
Base-Base interactions energy: -61.763
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.002
local terms energy: -69.508354
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -96.280045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.280045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.280045 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -36.263
Base-Backbone interact. energy: -0.150
local terms energy: -55.781337
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -82.769721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.769721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.769721 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -22.792
Base-Backbone interact. energy: -0.783
local terms energy: -45.332015
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -76.025200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.025200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.025200 (E_RNA)
where:
Base-Base interactions energy: -28.986
where: short stacking energy: -28.986
Base-Backbone interact. energy: -0.220
local terms energy: -46.819972
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -93.805075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.805075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.805075 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.067
local terms energy: -64.206698
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.442
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: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -238.167459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.167459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.167459 (E_RNA)
where:
Base-Base interactions energy: -160.468
where: short stacking energy: -79.366
Base-Backbone interact. energy: -0.001
local terms energy: -77.698584
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -209.079047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.079047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.079047 (E_RNA)
where:
Base-Base interactions energy: -133.456
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.008
local terms energy: -75.615024
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -199.878389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.878389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.878389 (E_RNA)
where:
Base-Base interactions energy: -142.581
where: short stacking energy: -56.479
Base-Backbone interact. energy: -0.257
local terms energy: -57.040978
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -8.416
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: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -203.508170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.508170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.508170 (E_RNA)
where:
Base-Base interactions energy: -127.868
where: short stacking energy: -66.765
Base-Backbone interact. energy: 0.246
local terms energy: -75.885946
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -8.074
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: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -150.482158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.482158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.482158 (E_RNA)
where:
Base-Base interactions energy: -89.801
where: short stacking energy: -46.654
Base-Backbone interact. energy: -0.214
local terms energy: -60.467283
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -116.038208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.038208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.038208 (E_RNA)
where:
Base-Base interactions energy: -58.555
where: short stacking energy: -32.815
Base-Backbone interact. energy: -0.720
local terms energy: -56.763668
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -91.557903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.557903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.557903 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -28.533
Base-Backbone interact. energy: -0.314
local terms energy: -57.825516
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -83.154561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.154561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.154561 (E_RNA)
where:
Base-Base interactions energy: -40.230
where: short stacking energy: -30.580
Base-Backbone interact. energy: -0.075
local terms energy: -42.849534
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -90.182378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.182378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.182378 (E_RNA)
where:
Base-Base interactions energy: -28.763
where: short stacking energy: -26.658
Base-Backbone interact. energy: -0.106
local terms energy: -61.312709
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -71.474512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.474512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.474512 (E_RNA)
where:
Base-Base interactions energy: -27.750
where: short stacking energy: -24.143
Base-Backbone interact. energy: 0.515
local terms energy: -44.239032
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -234.122730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.122730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.122730 (E_RNA)
where:
Base-Base interactions energy: -155.982
where: short stacking energy: -72.348
Base-Backbone interact. energy: -0.039
local terms energy: -78.102566
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -212.165999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.165999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.165999 (E_RNA)
where:
Base-Base interactions energy: -138.357
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.031
local terms energy: -73.777334
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -8.987
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: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -210.780127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.780127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.780127 (E_RNA)
where:
Base-Base interactions energy: -130.058
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.002
local terms energy: -80.720414
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -12.944
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: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -190.805604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.805604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.805604 (E_RNA)
where:
Base-Base interactions energy: -121.076
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.195
local terms energy: -69.534532
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -17.914
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -152.870805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.870805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.870805 (E_RNA)
where:
Base-Base interactions energy: -88.219
where: short stacking energy: -57.849
Base-Backbone interact. energy: -0.057
local terms energy: -64.594429
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -109.691250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.691250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.691250 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -47.588
Base-Backbone interact. energy: 0.360
local terms energy: -62.463226
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -96.687800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.687800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.687800 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.050
local terms energy: -56.849658
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -6.814
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: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -92.016732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.016732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.016732 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -32.397
Base-Backbone interact. energy: -0.906
local terms energy: -52.118230
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -117.790922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.790922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.790922 (E_RNA)
where:
Base-Base interactions energy: -66.039
where: short stacking energy: -31.058
Base-Backbone interact. energy: -1.157
local terms energy: -50.595159
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -3.192
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: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -66.262112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.262112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.262112 (E_RNA)
where:
Base-Base interactions energy: -28.812
where: short stacking energy: -24.842
Base-Backbone interact. energy: -1.031
local terms energy: -36.419226
where:
bonds (distance) C4'-P energy: -2.987
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -224.472586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.472586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.472586 (E_RNA)
where:
Base-Base interactions energy: -146.378
where: short stacking energy: -72.865
Base-Backbone interact. energy: -0.543
local terms energy: -77.551393
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -20.868
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: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -218.540349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.540349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.540349 (E_RNA)
where:
Base-Base interactions energy: -142.284
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.055
local terms energy: -76.201661
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -208.177206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.177206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.177206 (E_RNA)
where:
Base-Base interactions energy: -133.811
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.092
local terms energy: -74.273482
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -156.655266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.655266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.655266 (E_RNA)
where:
Base-Base interactions energy: -86.119
where: short stacking energy: -50.628
Base-Backbone interact. energy: -0.234
local terms energy: -70.302697
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -199.608981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.608981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.608981 (E_RNA)
where:
Base-Base interactions energy: -129.857
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.297
local terms energy: -69.455172
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -86.649209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649209 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -25.418
Base-Backbone interact. energy: -0.368
local terms energy: -55.875846
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -85.903216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903216 (E_RNA)
where:
Base-Base interactions energy: -39.966
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.046
local terms energy: -45.891008
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -2.555
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -86.828826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.828826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.828826 (E_RNA)
where:
Base-Base interactions energy: -39.895
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.248
local terms energy: -46.685574
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -6.280
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: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -82.748669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.748669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.748669 (E_RNA)
where:
Base-Base interactions energy: -32.289
where: short stacking energy: -25.389
Base-Backbone interact. energy: 0.230
local terms energy: -50.689051
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -74.766786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.766786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.766786 (E_RNA)
where:
Base-Base interactions energy: -26.332
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.054
local terms energy: -48.380222
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -232.970596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.970596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.970596 (E_RNA)
where:
Base-Base interactions energy: -161.332
where: short stacking energy: -75.906
Base-Backbone interact. energy: -0.131
local terms energy: -71.507909
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -217.945716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.945716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.945716 (E_RNA)
where:
Base-Base interactions energy: -141.711
where: short stacking energy: -73.617
Base-Backbone interact. energy: 0.195
local terms energy: -76.429938
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -8.747
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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -184.838618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.838618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.838618 (E_RNA)
where:
Base-Base interactions energy: -111.714
where: short stacking energy: -48.963
Base-Backbone interact. energy: -0.019
local terms energy: -73.106148
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -162.694810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.694810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.694810 (E_RNA)
where:
Base-Base interactions energy: -94.286
where: short stacking energy: -52.171
Base-Backbone interact. energy: -0.109
local terms energy: -68.300638
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -208.348527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.348527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.348527 (E_RNA)
where:
Base-Base interactions energy: -139.113
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.082
local terms energy: -69.153257
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -95.337100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.337100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.337100 (E_RNA)
where:
Base-Base interactions energy: -42.734
where: short stacking energy: -42.880
Base-Backbone interact. energy: -0.033
local terms energy: -52.570048
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -92.016546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.016546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.016546 (E_RNA)
where:
Base-Base interactions energy: -39.043
where: short stacking energy: -39.043
Base-Backbone interact. energy: -0.009
local terms energy: -52.964494
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -103.543492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.543492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.543492 (E_RNA)
where:
Base-Base interactions energy: -53.299
where: short stacking energy: -34.166
Base-Backbone interact. energy: -0.151
local terms energy: -50.094065
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -9.192
flat angles P-C4'-P energy: -6.416
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: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -76.988963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.988963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.988963 (E_RNA)
where:
Base-Base interactions energy: -18.949
where: short stacking energy: -17.848
Base-Backbone interact. energy: -0.145
local terms energy: -57.895815
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -83.224656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.224656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.224656 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.187
local terms energy: -50.024599
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -236.318901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.318901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.318901 (E_RNA)
where:
Base-Base interactions energy: -155.142
where: short stacking energy: -73.614
Base-Backbone interact. energy: -0.485
local terms energy: -80.692269
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.591
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: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -196.134124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.134124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.134124 (E_RNA)
where:
Base-Base interactions energy: -131.382
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.145
local terms energy: -64.607366
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -210.013394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.013394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.013394 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -64.205
Base-Backbone interact. energy: -0.285
local terms energy: -75.343899
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -222.144938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.144938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.144938 (E_RNA)
where:
Base-Base interactions energy: -148.474
where: short stacking energy: -66.869
Base-Backbone interact. energy: -0.096
local terms energy: -73.574544
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -160.372958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.372958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.372958 (E_RNA)
where:
Base-Base interactions energy: -93.141
where: short stacking energy: -56.960
Base-Backbone interact. energy: 1.441
local terms energy: -68.672705
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -86.396844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396844 (E_RNA)
where:
Base-Base interactions energy: -38.331
where: short stacking energy: -32.587
Base-Backbone interact. energy: 0.199
local terms energy: -48.264770
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -82.646072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646072 (E_RNA)
where:
Base-Base interactions energy: -24.711
where: short stacking energy: -20.364
Base-Backbone interact. energy: -1.346
local terms energy: -56.589439
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -5.695
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: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -88.504094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504094 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -27.343
Base-Backbone interact. energy: 0.268
local terms energy: -52.234154
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -0.082
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: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -80.315984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.315984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.315984 (E_RNA)
where:
Base-Base interactions energy: -26.232
where: short stacking energy: -26.232
Base-Backbone interact. energy: -0.016
local terms energy: -54.068532
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.249214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.249214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.249214 (E_RNA)
where:
Base-Base interactions energy: -24.389
where: short stacking energy: -16.346
Base-Backbone interact. energy: 0.226
local terms energy: -52.086495
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -196.585633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.585633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.585633 (E_RNA)
where:
Base-Base interactions energy: -128.430
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.079
local terms energy: -68.076513
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -6.104
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: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -231.952630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.952630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.952630 (E_RNA)
where:
Base-Base interactions energy: -154.688
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.002
local terms energy: -77.262161
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -211.277527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.277527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.277527 (E_RNA)
where:
Base-Base interactions energy: -138.630
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.414
local terms energy: -72.233007
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -20.366
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: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -212.415998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.415998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.415998 (E_RNA)
where:
Base-Base interactions energy: -146.064
where: short stacking energy: -65.973
Base-Backbone interact. energy: -0.103
local terms energy: -66.248393
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -146.920416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.920416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.920416 (E_RNA)
where:
Base-Base interactions energy: -82.966
where: short stacking energy: -44.880
Base-Backbone interact. energy: -0.703
local terms energy: -63.251660
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -89.635494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.635494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.635494 (E_RNA)
where:
Base-Base interactions energy: -35.336
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.042
local terms energy: -54.257764
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -97.826605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.826605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.826605 (E_RNA)
where:
Base-Base interactions energy: -44.291
where: short stacking energy: -21.150
Base-Backbone interact. energy: -0.055
local terms energy: -53.480401
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -85.408700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.408700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.408700 (E_RNA)
where:
Base-Base interactions energy: -34.659
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.890
local terms energy: -49.858980
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -80.971919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.971919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.971919 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.411
local terms energy: -46.907796
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -68.634181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.634181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.634181 (E_RNA)
where:
Base-Base interactions energy: -23.625
where: short stacking energy: -23.625
Base-Backbone interact. energy: -0.095
local terms energy: -44.914572
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -207.048972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.048972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.048972 (E_RNA)
where:
Base-Base interactions energy: -138.438
where: short stacking energy: -70.549
Base-Backbone interact. energy: 0.641
local terms energy: -69.251698
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -213.912374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.912374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.912374 (E_RNA)
where:
Base-Base interactions energy: -138.910
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.009
local terms energy: -74.994067
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -225.909079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.909079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.909079 (E_RNA)
where:
Base-Base interactions energy: -155.643
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.001
local terms energy: -70.264377
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.678
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: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -215.661448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.661448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.661448 (E_RNA)
where:
Base-Base interactions energy: -136.542
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.279
local terms energy: -78.840560
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -18.898
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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -156.269816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.269816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.269816 (E_RNA)
where:
Base-Base interactions energy: -95.788
where: short stacking energy: -54.730
Base-Backbone interact. energy: -1.131
local terms energy: -59.351297
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -106.846441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.846441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.846441 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -39.032
Base-Backbone interact. energy: -1.296
local terms energy: -58.375684
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.473
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: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -84.415121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.415121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.415121 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -32.961
Base-Backbone interact. energy: -0.067
local terms energy: -42.434364
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -0.727
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: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -82.796880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.796880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.796880 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -15.624
Base-Backbone interact. energy: -0.141
local terms energy: -52.665506
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -88.070548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.070548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.070548 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -37.616
Base-Backbone interact. energy: -0.092
local terms energy: -50.361716
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -85.479850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.479850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.479850 (E_RNA)
where:
Base-Base interactions energy: -34.682
where: short stacking energy: -28.121
Base-Backbone interact. energy: 0.665
local terms energy: -51.462682
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: 0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -223.455652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.455652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.455652 (E_RNA)
where:
Base-Base interactions energy: -145.166
where: short stacking energy: -63.059
Base-Backbone interact. energy: 0.016
local terms energy: -78.305631
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -218.402787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.402787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.402787 (E_RNA)
where:
Base-Base interactions energy: -146.328
where: short stacking energy: -72.467
Base-Backbone interact. energy: -0.008
local terms energy: -72.067278
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.785
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: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -239.128556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.128556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.128556 (E_RNA)
where:
Base-Base interactions energy: -160.368
where: short stacking energy: -74.963
Base-Backbone interact. energy: -0.058
local terms energy: -78.702588
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -228.947790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.947790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.947790 (E_RNA)
where:
Base-Base interactions energy: -151.879
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.002
local terms energy: -77.066851
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -127.852561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.852561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.852561 (E_RNA)
where:
Base-Base interactions energy: -77.632
where: short stacking energy: -38.121
Base-Backbone interact. energy: 0.920
local terms energy: -51.140337
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -8.533
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.631
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: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -129.416749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.416749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.416749 (E_RNA)
where:
Base-Base interactions energy: -65.368
where: short stacking energy: -34.576
Base-Backbone interact. energy: 0.028
local terms energy: -64.076430
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -9.440
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: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -91.518416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.518416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.518416 (E_RNA)
where:
Base-Base interactions energy: -37.083
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.045
local terms energy: -54.390156
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -88.839776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.839776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.839776 (E_RNA)
where:
Base-Base interactions energy: -43.059
where: short stacking energy: -28.072
Base-Backbone interact. energy: -0.016
local terms energy: -45.764953
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -88.716078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.716078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.716078 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -34.521
Base-Backbone interact. energy: -0.111
local terms energy: -53.681294
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -71.671391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.671391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.671391 (E_RNA)
where:
Base-Base interactions energy: -24.402
where: short stacking energy: -23.442
Base-Backbone interact. energy: -0.036
local terms energy: -47.233714
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -218.569859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.569859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.569859 (E_RNA)
where:
Base-Base interactions energy: -140.652
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.106
local terms energy: -77.811908
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.035
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: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -229.049056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.049056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.049056 (E_RNA)
where:
Base-Base interactions energy: -157.965
where: short stacking energy: -72.827
Base-Backbone interact. energy: -0.003
local terms energy: -71.081336
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -11.499
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: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -209.288902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.288902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.288902 (E_RNA)
where:
Base-Base interactions energy: -138.712
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.011
local terms energy: -70.565689
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -11.820
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: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -216.889714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.889714 (E_RNA)
where:
Base-Base interactions energy: -144.011
where: short stacking energy: -66.766
Base-Backbone interact. energy: -0.001
local terms energy: -72.878024
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -125.182532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.182532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.182532 (E_RNA)
where:
Base-Base interactions energy: -66.049
where: short stacking energy: -43.849
Base-Backbone interact. energy: -0.565
local terms energy: -58.567788
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -95.624466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.624466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.624466 (E_RNA)
where:
Base-Base interactions energy: -41.046
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.462
local terms energy: -54.116409
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -0.341
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: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -118.051860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.051860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.051860 (E_RNA)
where:
Base-Base interactions energy: -62.150
where: short stacking energy: -35.520
Base-Backbone interact. energy: 0.691
local terms energy: -56.592145
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -5.442
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: 83
Temperature: 1.250000
Total energy: -76.663736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663736 (E_RNA)
where:
Base-Base interactions energy: -29.036
where: short stacking energy: -27.444
Base-Backbone interact. energy: -0.101
local terms energy: -47.526054
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -10.733
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: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -80.666106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.666106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.666106 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.378
local terms energy: -50.337421
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -70.326431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.326431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.326431 (E_RNA)
where:
Base-Base interactions energy: -21.104
where: short stacking energy: -13.066
Base-Backbone interact. energy: -0.284
local terms energy: -48.938645
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -231.303697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.303697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.303697 (E_RNA)
where:
Base-Base interactions energy: -157.775
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.042
local terms energy: -73.486656
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -19.035
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: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -217.594269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.594269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.594269 (E_RNA)
where:
Base-Base interactions energy: -142.448
where: short stacking energy: -62.638
Base-Backbone interact. energy: -0.401
local terms energy: -74.745264
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -225.648783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.648783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.648783 (E_RNA)
where:
Base-Base interactions energy: -147.588
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.005
local terms energy: -78.056426
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -11.584
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: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -210.829659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.829659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.829659 (E_RNA)
where:
Base-Base interactions energy: -138.165
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.056
local terms energy: -72.608583
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -128.386140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.386140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.386140 (E_RNA)
where:
Base-Base interactions energy: -66.420
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.051
local terms energy: -61.914647
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -9.958
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: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -97.403379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.403379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.403379 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -27.876
Base-Backbone interact. energy: -0.167
local terms energy: -59.560595
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -107.131826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.131826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.131826 (E_RNA)
where:
Base-Base interactions energy: -56.940
where: short stacking energy: -27.882
Base-Backbone interact. energy: -0.161
local terms energy: -50.030731
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -6.506
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: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -84.624843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.624843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.624843 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -29.793
Base-Backbone interact. energy: -0.107
local terms energy: -54.724605
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -100.226335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.226335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.226335 (E_RNA)
where:
Base-Base interactions energy: -47.953
where: short stacking energy: -15.219
Base-Backbone interact. energy: 1.140
local terms energy: -53.412659
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: 1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -72.157756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.157756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.157756 (E_RNA)
where:
Base-Base interactions energy: -26.306
where: short stacking energy: -26.306
Base-Backbone interact. energy: 0.225
local terms energy: -46.077239
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -232.684446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.684446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.684446 (E_RNA)
where:
Base-Base interactions energy: -157.223
where: short stacking energy: -73.888
Base-Backbone interact. energy: -0.197
local terms energy: -75.264574
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -213.406171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.406171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.406171 (E_RNA)
where:
Base-Base interactions energy: -135.173
where: short stacking energy: -70.263
Base-Backbone interact. energy: 0.374
local terms energy: -78.607146
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -220.808454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.808454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.808454 (E_RNA)
where:
Base-Base interactions energy: -147.910
where: short stacking energy: -69.650
Base-Backbone interact. energy: -0.636
local terms energy: -72.262293
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -194.334674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.334674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.334674 (E_RNA)
where:
Base-Base interactions energy: -120.368
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.028
local terms energy: -73.938349
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -12.205
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: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -133.055244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.055244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.055244 (E_RNA)
where:
Base-Base interactions energy: -63.628
where: short stacking energy: -37.993
Base-Backbone interact. energy: -2.263
local terms energy: -67.165077
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -7.868
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: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -114.945557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.945557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.945557 (E_RNA)
where:
Base-Base interactions energy: -65.826
where: short stacking energy: -40.854
Base-Backbone interact. energy: 0.499
local terms energy: -49.618991
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -1.167
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -106.533901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.533901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.533901 (E_RNA)
where:
Base-Base interactions energy: -47.859
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.158
local terms energy: -58.516934
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -94.373092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.373092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.373092 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -22.884
Base-Backbone interact. energy: -0.212
local terms energy: -53.548707
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -90.865386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.865386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.865386 (E_RNA)
where:
Base-Base interactions energy: -47.899
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.071
local terms energy: -42.894956
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -89.148994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.148994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.148994 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -35.360
Base-Backbone interact. energy: 0.049
local terms energy: -46.388145
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -233.217816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.217816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.217816 (E_RNA)
where:
Base-Base interactions energy: -152.992
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.061
local terms energy: -80.164899
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -19.208
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: 86
Temperature: 0.950000
Total energy: -223.076554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.076554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.076554 (E_RNA)
where:
Base-Base interactions energy: -143.482
where: short stacking energy: -76.923
Base-Backbone interact. energy: -0.004
local terms energy: -79.589986
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -22.340
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: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -220.273586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.273586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.273586 (E_RNA)
where:
Base-Base interactions energy: -144.836
where: short stacking energy: -70.749
Base-Backbone interact. energy: -0.415
local terms energy: -75.022098
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.720
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: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -206.315857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.315857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.315857 (E_RNA)
where:
Base-Base interactions energy: -127.361
where: short stacking energy: -65.848
Base-Backbone interact. energy: 0.730
local terms energy: -79.684750
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -18.339
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: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -181.625949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.625949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.625949 (E_RNA)
where:
Base-Base interactions energy: -116.492
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.045
local terms energy: -65.089647
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -14.387
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: 86
Temperature: 1.150000
Total energy: -88.075940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.075940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.075940 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -33.504
Base-Backbone interact. energy: -0.111
local terms energy: -54.460706
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -83.218305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.218305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.218305 (E_RNA)
where:
Base-Base interactions energy: -31.682
where: short stacking energy: -21.755
Base-Backbone interact. energy: -0.134
local terms energy: -51.402551
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -88.977939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.977939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.977939 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.393
local terms energy: -56.324049
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -89.981124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.981124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.981124 (E_RNA)
where:
Base-Base interactions energy: -49.240
where: short stacking energy: -20.228
Base-Backbone interact. energy: -0.201
local terms energy: -40.540843
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: 2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -86.839215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.839215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.839215 (E_RNA)
where:
Base-Base interactions energy: -35.196
where: short stacking energy: -34.939
Base-Backbone interact. energy: -0.150
local terms energy: -51.492780
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -236.199639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.199639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.199639 (E_RNA)
where:
Base-Base interactions energy: -154.490
where: short stacking energy: -75.383
Base-Backbone interact. energy: -0.003
local terms energy: -81.706661
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -220.361509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.361509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.361509 (E_RNA)
where:
Base-Base interactions energy: -138.280
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.000
local terms energy: -82.081595
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -213.042062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.042062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.042062 (E_RNA)
where:
Base-Base interactions energy: -141.984
where: short stacking energy: -67.942
Base-Backbone interact. energy: -0.003
local terms energy: -71.055249
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -7.414
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: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -210.002353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.002353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.002353 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.142
local terms energy: -76.576797
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.543
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: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -181.464897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.464897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.464897 (E_RNA)
where:
Base-Base interactions energy: -118.293
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.139
local terms energy: -63.033025
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -91.946469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.946469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.946469 (E_RNA)
where:
Base-Base interactions energy: -35.265
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.300
local terms energy: -56.381694
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -90.220655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.220655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.220655 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.080
local terms energy: -57.824277
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -3.964
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -81.558699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.558699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.558699 (E_RNA)
where:
Base-Base interactions energy: -29.955
where: short stacking energy: -29.955
Base-Backbone interact. energy: -0.097
local terms energy: -51.506952
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -4.431
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: 87
Temperature: 1.300000
Total energy: -77.185842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.185842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.185842 (E_RNA)
where:
Base-Base interactions energy: -27.973
where: short stacking energy: -27.973
Base-Backbone interact. energy: -0.098
local terms energy: -49.115043
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -77.749190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.749190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.749190 (E_RNA)
where:
Base-Base interactions energy: -27.822
where: short stacking energy: -20.844
Base-Backbone interact. energy: -0.486
local terms energy: -49.441075
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: 0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -212.080916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.080916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.080916 (E_RNA)
where:
Base-Base interactions energy: -137.004
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.059
local terms energy: -75.018071
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -219.571926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.571926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.571926 (E_RNA)
where:
Base-Base interactions energy: -151.496
where: short stacking energy: -63.231
Base-Backbone interact. energy: -0.326
local terms energy: -67.750320
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -213.949010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.949010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.949010 (E_RNA)
where:
Base-Base interactions energy: -140.086
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.339
local terms energy: -73.524259
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -212.286878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.286878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.286878 (E_RNA)
where:
Base-Base interactions energy: -137.803
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.292
local terms energy: -74.192305
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -21.204
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: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -188.281497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.281497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.281497 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.445
local terms energy: -63.565643
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -13.451
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: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -178.766225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.766225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.766225 (E_RNA)
where:
Base-Base interactions energy: -110.685
where: short stacking energy: -49.982
Base-Backbone interact. energy: -0.556
local terms energy: -67.525831
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -11.919
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: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -92.730165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.730165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.730165 (E_RNA)
where:
Base-Base interactions energy: -40.511
where: short stacking energy: -40.511
Base-Backbone interact. energy: -0.058
local terms energy: -52.160457
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -4.396
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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -89.989767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.989767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.989767 (E_RNA)
where:
Base-Base interactions energy: -29.802
where: short stacking energy: -28.487
Base-Backbone interact. energy: 1.727
local terms energy: -61.914985
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -8.799
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: 88
Temperature: 1.300000
Total energy: -108.626357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.626357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.626357 (E_RNA)
where:
Base-Base interactions energy: -47.557
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.017
local terms energy: -61.051799
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -6.273
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: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -80.126317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.126317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.126317 (E_RNA)
where:
Base-Base interactions energy: -39.490
where: short stacking energy: -21.301
Base-Backbone interact. energy: -0.801
local terms energy: -39.835147
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: 3.060
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: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -219.573249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.573249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.573249 (E_RNA)
where:
Base-Base interactions energy: -139.621
where: short stacking energy: -73.346
Base-Backbone interact. energy: -0.316
local terms energy: -79.636413
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -208.874558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.874558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.874558 (E_RNA)
where:
Base-Base interactions energy: -141.294
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.115
local terms energy: -67.466434
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -14.724
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: 89
Temperature: 1.000000
Total energy: -212.268158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.268158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.268158 (E_RNA)
where:
Base-Base interactions energy: -146.192
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.322
local terms energy: -65.754450
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -208.713038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.713038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.713038 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.017
local terms energy: -71.674660
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.479
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: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -185.111012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.111012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.111012 (E_RNA)
where:
Base-Base interactions energy: -118.388
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.249
local terms energy: -66.474120
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -8.332
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: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -183.023532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.023532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.023532 (E_RNA)
where:
Base-Base interactions energy: -124.138
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.059
local terms energy: -58.825891
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -7.965
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: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -92.668263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.668263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.668263 (E_RNA)
where:
Base-Base interactions energy: -35.904
where: short stacking energy: -35.904
Base-Backbone interact. energy: -0.012
local terms energy: -56.752082
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -75.575653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.575653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.575653 (E_RNA)
where:
Base-Base interactions energy: -19.647
where: short stacking energy: -19.647
Base-Backbone interact. energy: -0.190
local terms energy: -55.738380
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -8.468
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: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -78.524339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.524339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.524339 (E_RNA)
where:
Base-Base interactions energy: -34.695
where: short stacking energy: -30.942
Base-Backbone interact. energy: 1.053
local terms energy: -44.882227
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -5.062
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: 89
Temperature: 1.350000
Total energy: -77.649793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.649793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.649793 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -18.637
Base-Backbone interact. energy: -0.367
local terms energy: -36.103705
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: 4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -219.977870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.977870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.977870 (E_RNA)
where:
Base-Base interactions energy: -138.311
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.003
local terms energy: -81.663428
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -217.299578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.299578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.299578 (E_RNA)
where:
Base-Base interactions energy: -135.253
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.034
local terms energy: -82.012792
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -218.897347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.897347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.897347 (E_RNA)
where:
Base-Base interactions energy: -143.582
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.165
local terms energy: -75.150508
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -203.154912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.154912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.154912 (E_RNA)
where:
Base-Base interactions energy: -137.449
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.108
local terms energy: -65.597688
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -182.128754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.128754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.128754 (E_RNA)
where:
Base-Base interactions energy: -116.431
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.064
local terms energy: -65.633792
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -203.877196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.877196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.877196 (E_RNA)
where:
Base-Base interactions energy: -131.301
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.008
local terms energy: -72.567621
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -105.954160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.954160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.954160 (E_RNA)
where:
Base-Base interactions energy: -60.706
where: short stacking energy: -26.215
Base-Backbone interact. energy: -0.194
local terms energy: -45.054303
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -90.581817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.581817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.581817 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -25.092
Base-Backbone interact. energy: -0.346
local terms energy: -52.019611
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -71.364107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.364107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.364107 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -22.429
Base-Backbone interact. energy: 0.074
local terms energy: -34.317329
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -8.624
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: 2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -73.598303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.598303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.598303 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.192
local terms energy: -40.588070
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -216.059909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.059909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.059909 (E_RNA)
where:
Base-Base interactions energy: -132.435
where: short stacking energy: -62.676
Base-Backbone interact. energy: -1.164
local terms energy: -82.460846
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -217.140384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.140384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.140384 (E_RNA)
where:
Base-Base interactions energy: -143.577
where: short stacking energy: -72.212
Base-Backbone interact. energy: -0.007
local terms energy: -73.556805
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -207.560769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.560769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.560769 (E_RNA)
where:
Base-Base interactions energy: -132.248
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.043
local terms energy: -75.269664
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -203.883351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.883351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.883351 (E_RNA)
where:
Base-Base interactions energy: -129.925
where: short stacking energy: -64.719
Base-Backbone interact. energy: -1.411
local terms energy: -72.547393
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -180.666047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.666047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.666047 (E_RNA)
where:
Base-Base interactions energy: -115.506
where: short stacking energy: -59.400
Base-Backbone interact. energy: -0.361
local terms energy: -64.798206
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -216.269152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.269152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.269152 (E_RNA)
where:
Base-Base interactions energy: -149.134
where: short stacking energy: -74.653
Base-Backbone interact. energy: -0.001
local terms energy: -67.134286
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -18.178
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: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -123.709352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.709352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.709352 (E_RNA)
where:
Base-Base interactions energy: -75.292
where: short stacking energy: -37.183
Base-Backbone interact. energy: -0.876
local terms energy: -47.541963
where:
bonds (distance) C4'-P energy: -6.465
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -81.134638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.134638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.134638 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -16.108
Base-Backbone interact. energy: 1.645
local terms energy: -51.911323
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -73.428564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.428564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.428564 (E_RNA)
where:
Base-Base interactions energy: -27.205
where: short stacking energy: -21.829
Base-Backbone interact. energy: -0.118
local terms energy: -46.105461
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -73.666274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.666274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.666274 (E_RNA)
where:
Base-Base interactions energy: -23.742
where: short stacking energy: -23.758
Base-Backbone interact. energy: -0.185
local terms energy: -49.739303
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -209.317666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.317666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.317666 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -62.514
Base-Backbone interact. energy: -0.088
local terms energy: -84.491785
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -22.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -227.805778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.805778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.805778 (E_RNA)
where:
Base-Base interactions energy: -147.482
where: short stacking energy: -69.641
Base-Backbone interact. energy: -0.101
local terms energy: -80.222799
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -220.064513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.064513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.064513 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.674
local terms energy: -75.188554
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -206.668897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.668897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.668897 (E_RNA)
where:
Base-Base interactions energy: -137.868
where: short stacking energy: -63.313
Base-Backbone interact. energy: -0.129
local terms energy: -68.672312
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -14.625
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: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -225.694812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.694812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.694812 (E_RNA)
where:
Base-Base interactions energy: -150.608
where: short stacking energy: -72.442
Base-Backbone interact. energy: -0.403
local terms energy: -74.684067
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -166.419476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.419476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.419476 (E_RNA)
where:
Base-Base interactions energy: -103.580
where: short stacking energy: -39.998
Base-Backbone interact. energy: -0.274
local terms energy: -62.565877
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -5.713
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: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -122.125423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.125423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.125423 (E_RNA)
where:
Base-Base interactions energy: -71.442
where: short stacking energy: -42.407
Base-Backbone interact. energy: -0.094
local terms energy: -50.590043
where:
bonds (distance) C4'-P energy: -6.823
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -82.432993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.432993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.432993 (E_RNA)
where:
Base-Base interactions energy: -25.392
where: short stacking energy: -19.563
Base-Backbone interact. energy: -0.403
local terms energy: -56.638043
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -83.688904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.688904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.688904 (E_RNA)
where:
Base-Base interactions energy: -34.402
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.036
local terms energy: -49.251486
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -2.513
tors. eta vs tors. theta energy: -5.509
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: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -68.531042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.531042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.531042 (E_RNA)
where:
Base-Base interactions energy: -23.891
where: short stacking energy: -20.767
Base-Backbone interact. energy: -0.347
local terms energy: -44.293130
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -1.984
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: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -221.164572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.164572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.164572 (E_RNA)
where:
Base-Base interactions energy: -139.730
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.056
local terms energy: -81.378392
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -227.706742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.706742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.706742 (E_RNA)
where:
Base-Base interactions energy: -147.004
where: short stacking energy: -69.585
Base-Backbone interact. energy: -0.213
local terms energy: -80.490051
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -12.249
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: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -217.034131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.034131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.034131 (E_RNA)
where:
Base-Base interactions energy: -142.021
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.281
local terms energy: -74.731934
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -21.156
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: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -221.056471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.056471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.056471 (E_RNA)
where:
Base-Base interactions energy: -141.033
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.873
local terms energy: -79.150557
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -21.663
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: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -192.035647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.035647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.035647 (E_RNA)
where:
Base-Base interactions energy: -132.451
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.275
local terms energy: -59.309826
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -14.613
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: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -190.996827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.996827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.996827 (E_RNA)
where:
Base-Base interactions energy: -125.352
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.242
local terms energy: -65.402580
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -14.079
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: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -91.723248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.723248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.723248 (E_RNA)
where:
Base-Base interactions energy: -42.492
where: short stacking energy: -41.977
Base-Backbone interact. energy: -0.269
local terms energy: -48.962582
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -92.126148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.126148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.126148 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -32.814
Base-Backbone interact. energy: -0.151
local terms energy: -45.462308
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -7.320
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: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -82.957195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.957195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.957195 (E_RNA)
where:
Base-Base interactions energy: -32.654
where: short stacking energy: -26.584
Base-Backbone interact. energy: -0.183
local terms energy: -50.119872
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -7.008
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -73.811994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.811994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.811994 (E_RNA)
where:
Base-Base interactions energy: -21.492
where: short stacking energy: -21.492
Base-Backbone interact. energy: 0.853
local terms energy: -53.173489
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -220.124714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.124714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.124714 (E_RNA)
where:
Base-Base interactions energy: -140.733
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.283
local terms energy: -79.108797
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -231.979918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.979918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.979918 (E_RNA)
where:
Base-Base interactions energy: -150.169
where: short stacking energy: -73.007
Base-Backbone interact. energy: -0.002
local terms energy: -81.808621
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -221.166901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.166901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.166901 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -68.202
Base-Backbone interact. energy: -0.366
local terms energy: -71.533380
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -22.491
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: 94
Temperature: 1.050000
Total energy: -181.630948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.630948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.630948 (E_RNA)
where:
Base-Base interactions energy: -116.649
where: short stacking energy: -62.695
Base-Backbone interact. energy: -0.793
local terms energy: -64.189020
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -210.182045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.182045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.182045 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.027
local terms energy: -66.068651
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -170.659892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.659892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.659892 (E_RNA)
where:
Base-Base interactions energy: -100.915
where: short stacking energy: -43.991
Base-Backbone interact. energy: -0.049
local terms energy: -69.695989
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -104.190764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.190764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.190764 (E_RNA)
where:
Base-Base interactions energy: -42.930
where: short stacking energy: -27.261
Base-Backbone interact. energy: -0.037
local terms energy: -61.223243
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -89.571240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.571240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.571240 (E_RNA)
where:
Base-Base interactions energy: -43.225
where: short stacking energy: -31.883
Base-Backbone interact. energy: 0.174
local terms energy: -46.520211
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -88.014277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.014277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.014277 (E_RNA)
where:
Base-Base interactions energy: -42.164
where: short stacking energy: -27.112
Base-Backbone interact. energy: -0.329
local terms energy: -45.520751
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -72.693222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.693222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.693222 (E_RNA)
where:
Base-Base interactions energy: -23.471
where: short stacking energy: -20.151
Base-Backbone interact. energy: -0.264
local terms energy: -48.958604
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -225.125176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.125176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.125176 (E_RNA)
where:
Base-Base interactions energy: -142.730
where: short stacking energy: -77.870
Base-Backbone interact. energy: -0.002
local terms energy: -82.393070
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -224.334089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.334089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.334089 (E_RNA)
where:
Base-Base interactions energy: -147.157
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.004
local terms energy: -77.172902
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -230.684003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.684003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.684003 (E_RNA)
where:
Base-Base interactions energy: -156.854
where: short stacking energy: -78.794
Base-Backbone interact. energy: -0.003
local terms energy: -73.827918
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -9.821
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: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -189.269755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.269755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.269755 (E_RNA)
where:
Base-Base interactions energy: -127.017
where: short stacking energy: -47.619
Base-Backbone interact. energy: -0.445
local terms energy: -61.807677
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -186.728839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.728839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.728839 (E_RNA)
where:
Base-Base interactions energy: -127.737
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.074
local terms energy: -58.918067
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -185.116557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116557 (E_RNA)
where:
Base-Base interactions energy: -115.182
where: short stacking energy: -55.428
Base-Backbone interact. energy: -0.831
local terms energy: -69.103024
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -93.548537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.548537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.548537 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.408
local terms energy: -56.809996
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -86.581514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.581514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.581514 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -24.391
Base-Backbone interact. energy: -0.014
local terms energy: -61.222603
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -5.451
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: 95
Temperature: 1.300000
Total energy: -80.236768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.236768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.236768 (E_RNA)
where:
Base-Base interactions energy: -31.690
where: short stacking energy: -22.963
Base-Backbone interact. energy: -0.271
local terms energy: -48.275538
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -74.914179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.914179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.914179 (E_RNA)
where:
Base-Base interactions energy: -24.822
where: short stacking energy: -15.470
Base-Backbone interact. energy: 1.520
local terms energy: -51.611851
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -241.110739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.110739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.110739 (E_RNA)
where:
Base-Base interactions energy: -159.127
where: short stacking energy: -77.028
Base-Backbone interact. energy: -0.532
local terms energy: -81.452299
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -202.393922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.393922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.393922 (E_RNA)
where:
Base-Base interactions energy: -131.830
where: short stacking energy: -63.937
Base-Backbone interact. energy: -0.010
local terms energy: -70.553993
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -210.550265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.550265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.550265 (E_RNA)
where:
Base-Base interactions energy: -139.515
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.100
local terms energy: -70.936219
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -10.650
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: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -226.431377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.431377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.431377 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.002
local terms energy: -75.113943
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -176.115074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.115074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.115074 (E_RNA)
where:
Base-Base interactions energy: -108.050
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.313
local terms energy: -67.752179
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.601
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -173.047679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.047679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.047679 (E_RNA)
where:
Base-Base interactions energy: -105.418
where: short stacking energy: -42.597
Base-Backbone interact. energy: -0.374
local terms energy: -67.255739
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -14.492
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: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -91.830293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.830293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.830293 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -38.821
Base-Backbone interact. energy: -0.104
local terms energy: -52.905477
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -8.158
flat angles P-C4'-P energy: -8.193
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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -82.165289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.165289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.165289 (E_RNA)
where:
Base-Base interactions energy: -32.492
where: short stacking energy: -20.121
Base-Backbone interact. energy: -0.359
local terms energy: -49.314256
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -8.073
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: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -94.540929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.540929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.540929 (E_RNA)
where:
Base-Base interactions energy: -44.863
where: short stacking energy: -22.451
Base-Backbone interact. energy: -0.792
local terms energy: -48.885737
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -75.492162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.492162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.492162 (E_RNA)
where:
Base-Base interactions energy: -24.292
where: short stacking energy: -22.585
Base-Backbone interact. energy: -0.228
local terms energy: -50.972024
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -240.621240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.621240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.621240 (E_RNA)
where:
Base-Base interactions energy: -162.201
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.369
local terms energy: -78.051286
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -228.024334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.024334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.024334 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.017
local terms energy: -76.796975
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -212.682749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.682749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.682749 (E_RNA)
where:
Base-Base interactions energy: -136.297
where: short stacking energy: -70.756
Base-Backbone interact. energy: -0.016
local terms energy: -76.370112
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -213.074920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074920 (E_RNA)
where:
Base-Base interactions energy: -140.545
where: short stacking energy: -75.929
Base-Backbone interact. energy: -0.305
local terms energy: -72.224809
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -197.136852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.136852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.136852 (E_RNA)
where:
Base-Base interactions energy: -132.109
where: short stacking energy: -50.548
Base-Backbone interact. energy: -0.153
local terms energy: -64.875228
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -14.704
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: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -170.310548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.310548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.310548 (E_RNA)
where:
Base-Base interactions energy: -106.592
where: short stacking energy: -49.348
Base-Backbone interact. energy: -0.179
local terms energy: -63.539452
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -4.960
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: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -81.107131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.107131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.107131 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -28.619
Base-Backbone interact. energy: 0.078
local terms energy: -52.565628
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -4.921
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: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -77.727886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.727886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.727886 (E_RNA)
where:
Base-Base interactions energy: -26.340
where: short stacking energy: -26.340
Base-Backbone interact. energy: -0.262
local terms energy: -51.125843
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -79.527591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.527591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.527591 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -20.322
Base-Backbone interact. energy: -0.248
local terms energy: -53.757545
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: 3.139
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: 97
Temperature: 1.350000
Total energy: -75.086314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.086314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.086314 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -23.452
Base-Backbone interact. energy: -0.156
local terms energy: -45.266626
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -3.592
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: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -233.766637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.766637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.766637 (E_RNA)
where:
Base-Base interactions energy: -155.563
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.072
local terms energy: -78.131971
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -233.656528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.656528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.656528 (E_RNA)
where:
Base-Base interactions energy: -155.659
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.001
local terms energy: -77.996656
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -10.791
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: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -212.795358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.795358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795358 (E_RNA)
where:
Base-Base interactions energy: -133.443
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.020
local terms energy: -79.332281
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -220.673279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.673279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.673279 (E_RNA)
where:
Base-Base interactions energy: -141.047
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.002
local terms energy: -79.624759
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -20.333
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: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -181.047167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.047167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.047167 (E_RNA)
where:
Base-Base interactions energy: -122.772
where: short stacking energy: -62.582
Base-Backbone interact. energy: 0.128
local terms energy: -58.403626
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -169.712521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.712521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.712521 (E_RNA)
where:
Base-Base interactions energy: -106.287
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.056
local terms energy: -63.369631
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -93.498717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.498717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.498717 (E_RNA)
where:
Base-Base interactions energy: -43.041
where: short stacking energy: -23.255
Base-Backbone interact. energy: -0.404
local terms energy: -50.053200
where:
bonds (distance) C4'-P energy: -5.135
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -11.505
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -89.205387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.205387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.205387 (E_RNA)
where:
Base-Base interactions energy: -34.305
where: short stacking energy: -24.219
Base-Backbone interact. energy: -0.178
local terms energy: -54.722611
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -3.200
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: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -78.541835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.541835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.541835 (E_RNA)
where:
Base-Base interactions energy: -27.876
where: short stacking energy: -16.356
Base-Backbone interact. energy: -0.605
local terms energy: -50.061143
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -73.391717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.391717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.391717 (E_RNA)
where:
Base-Base interactions energy: -27.445
where: short stacking energy: -26.349
Base-Backbone interact. energy: -0.458
local terms energy: -45.488488
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -2.921
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: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -231.899065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.899065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.899065 (E_RNA)
where:
Base-Base interactions energy: -157.466
where: short stacking energy: -76.139
Base-Backbone interact. energy: -0.007
local terms energy: -74.425104
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -216.047769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.047769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.047769 (E_RNA)
where:
Base-Base interactions energy: -140.731
where: short stacking energy: -65.916
Base-Backbone interact. energy: 0.183
local terms energy: -75.499984
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -232.206177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.206177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.206177 (E_RNA)
where:
Base-Base interactions energy: -155.954
where: short stacking energy: -75.091
Base-Backbone interact. energy: 0.371
local terms energy: -76.623523
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -18.773
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: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -214.854184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.854184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.854184 (E_RNA)
where:
Base-Base interactions energy: -136.170
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.403
local terms energy: -78.281457
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -186.631185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.631185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.631185 (E_RNA)
where:
Base-Base interactions energy: -114.838
where: short stacking energy: -57.585
Base-Backbone interact. energy: -0.735
local terms energy: -71.058653
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -168.281460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.281460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.281460 (E_RNA)
where:
Base-Base interactions energy: -106.591
where: short stacking energy: -56.778
Base-Backbone interact. energy: -0.149
local terms energy: -61.541974
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -93.667738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.667738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.667738 (E_RNA)
where:
Base-Base interactions energy: -41.669
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.548
local terms energy: -51.450021
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: 0.770
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: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -76.088092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.088092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.088092 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -28.618
Base-Backbone interact. energy: -0.063
local terms energy: -47.407293
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -79.022801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.022801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.022801 (E_RNA)
where:
Base-Base interactions energy: -36.426
where: short stacking energy: -36.426
Base-Backbone interact. energy: -0.219
local terms energy: -42.377642
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -4.401
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: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -71.789231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.789231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.789231 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.122
local terms energy: -44.590930
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -227.008902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.008902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.008902 (E_RNA)
where:
Base-Base interactions energy: -147.372
where: short stacking energy: -73.901
Base-Backbone interact. energy: -0.015
local terms energy: -79.621769
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -13.769
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: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -231.158415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.158415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.158415 (E_RNA)
where:
Base-Base interactions energy: -148.125
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.011
local terms energy: -83.022678
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -20.782
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: 100
Temperature: 1.000000
Total energy: -214.639919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.639919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.639919 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -71.576
Base-Backbone interact. energy: -0.045
local terms energy: -75.800399
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.275
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -219.576219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.576219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.576219 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -67.046
Base-Backbone interact. energy: -0.000
local terms energy: -74.003520
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -210.182141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.182141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.182141 (E_RNA)
where:
Base-Base interactions energy: -133.708
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.009
local terms energy: -76.465704
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -188.835552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.835552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.835552 (E_RNA)
where:
Base-Base interactions energy: -120.880
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.285
local terms energy: -67.670237
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.823
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: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -108.284626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.284626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.284626 (E_RNA)
where:
Base-Base interactions energy: -47.105
where: short stacking energy: -36.849
Base-Backbone interact. energy: -0.551
local terms energy: -60.628820
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -96.094629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.094629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.094629 (E_RNA)
where:
Base-Base interactions energy: -43.552
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.338
local terms energy: -52.204648
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -87.640997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.640997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.640997 (E_RNA)
where:
Base-Base interactions energy: -35.130
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.130
local terms energy: -52.381155
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -77.461644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.461644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.461644 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -24.618
Base-Backbone interact. energy: -0.039
local terms energy: -39.074054
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: 3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -222.326938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.326938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.326938 (E_RNA)
where:
Base-Base interactions energy: -147.088
where: short stacking energy: -78.700
Base-Backbone interact. energy: -0.015
local terms energy: -75.223614
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -232.548475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.548475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.548475 (E_RNA)
where:
Base-Base interactions energy: -147.654
where: short stacking energy: -69.785
Base-Backbone interact. energy: -0.058
local terms energy: -84.835999
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -21.225
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: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -223.681983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.681983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.681983 (E_RNA)
where:
Base-Base interactions energy: -147.578
where: short stacking energy: -68.516
Base-Backbone interact. energy: -0.005
local terms energy: -76.098730
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -21.843
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: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -221.305646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.305646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.305646 (E_RNA)
where:
Base-Base interactions energy: -155.663
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.038
local terms energy: -65.603734
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -21.892
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: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -217.705712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.705712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.705712 (E_RNA)
where:
Base-Base interactions energy: -145.192
where: short stacking energy: -75.507
Base-Backbone interact. energy: 0.019
local terms energy: -72.532348
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -169.680897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.680897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.680897 (E_RNA)
where:
Base-Base interactions energy: -105.296
where: short stacking energy: -53.762
Base-Backbone interact. energy: -0.712
local terms energy: -63.672957
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -10.019
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -12.975
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: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -99.121657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.121657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.121657 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -34.562
Base-Backbone interact. energy: 0.218
local terms energy: -64.255859
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -85.922681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.922681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.922681 (E_RNA)
where:
Base-Base interactions energy: -36.647
where: short stacking energy: -19.192
Base-Backbone interact. energy: -0.556
local terms energy: -48.719131
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -71.329346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.329346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.329346 (E_RNA)
where:
Base-Base interactions energy: -27.106
where: short stacking energy: -27.106
Base-Backbone interact. energy: -0.095
local terms energy: -44.128126
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -74.149770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.149770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.149770 (E_RNA)
where:
Base-Base interactions energy: -27.433
where: short stacking energy: -22.705
Base-Backbone interact. energy: -0.403
local terms energy: -46.314707
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -223.480100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.480100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.480100 (E_RNA)
where:
Base-Base interactions energy: -152.562
where: short stacking energy: -71.839
Base-Backbone interact. energy: -0.106
local terms energy: -70.812567
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -20.220
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: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -224.369856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.369856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.369856 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.012
local terms energy: -77.705024
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -231.987727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.987727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.987727 (E_RNA)
where:
Base-Base interactions energy: -159.523
where: short stacking energy: -78.692
Base-Backbone interact. energy: -0.000
local terms energy: -72.464262
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -231.891289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.891289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.891289 (E_RNA)
where:
Base-Base interactions energy: -156.600
where: short stacking energy: -74.251
Base-Backbone interact. energy: -0.181
local terms energy: -75.110981
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -192.941003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.941003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.941003 (E_RNA)
where:
Base-Base interactions energy: -123.803
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.184
local terms energy: -68.953675
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -196.197600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.197600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.197600 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.020
local terms energy: -66.929850
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -89.505509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505509 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -34.214
Base-Backbone interact. energy: -0.047
local terms energy: -47.799467
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.579
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: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -85.758005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.758005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.758005 (E_RNA)
where:
Base-Base interactions energy: -32.814
where: short stacking energy: -23.632
Base-Backbone interact. energy: -0.743
local terms energy: -52.200812
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -99.513860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.513860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.513860 (E_RNA)
where:
Base-Base interactions energy: -51.471
where: short stacking energy: -22.449
Base-Backbone interact. energy: -0.562
local terms energy: -47.481237
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -85.533663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.533663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.533663 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.081
local terms energy: -51.351396
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -221.297376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.297376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.297376 (E_RNA)
where:
Base-Base interactions energy: -146.897
where: short stacking energy: -68.105
Base-Backbone interact. energy: -0.153
local terms energy: -74.248016
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -18.524
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: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -233.326990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.326990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.326990 (E_RNA)
where:
Base-Base interactions energy: -151.915
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.001
local terms energy: -81.410771
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -228.825936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.825936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.825936 (E_RNA)
where:
Base-Base interactions energy: -153.436
where: short stacking energy: -72.303
Base-Backbone interact. energy: -0.287
local terms energy: -75.103389
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.697
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: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -197.305426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.305426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.305426 (E_RNA)
where:
Base-Base interactions energy: -130.752
where: short stacking energy: -60.366
Base-Backbone interact. energy: -0.113
local terms energy: -66.440167
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -211.337523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.337523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.337523 (E_RNA)
where:
Base-Base interactions energy: -144.183
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.685
local terms energy: -66.469063
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -16.136
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: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -158.166147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.166147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.166147 (E_RNA)
where:
Base-Base interactions energy: -96.889
where: short stacking energy: -49.971
Base-Backbone interact. energy: -0.430
local terms energy: -60.846590
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -104.247905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.247905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.247905 (E_RNA)
where:
Base-Base interactions energy: -53.756
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.461
local terms energy: -50.030717
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -6.716
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -73.550450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.550450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.550450 (E_RNA)
where:
Base-Base interactions energy: -26.503
where: short stacking energy: -22.039
Base-Backbone interact. energy: 2.144
local terms energy: -49.190842
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -9.677
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: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -86.194930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.194930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.194930 (E_RNA)
where:
Base-Base interactions energy: -34.513
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.397
local terms energy: -51.284434
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -0.189
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -72.299844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.299844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.299844 (E_RNA)
where:
Base-Base interactions energy: -25.960
where: short stacking energy: -25.960
Base-Backbone interact. energy: -0.109
local terms energy: -46.231442
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -235.349755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.349755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.349755 (E_RNA)
where:
Base-Base interactions energy: -152.317
where: short stacking energy: -73.846
Base-Backbone interact. energy: -0.002
local terms energy: -83.031545
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -211.017649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.017649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017649 (E_RNA)
where:
Base-Base interactions energy: -138.532
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.002
local terms energy: -72.483347
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -17.340
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: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -199.452852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.452852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.452852 (E_RNA)
where:
Base-Base interactions energy: -125.750
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.744
local terms energy: -72.958821
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -221.354374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.354374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.354374 (E_RNA)
where:
Base-Base interactions energy: -152.375
where: short stacking energy: -71.165
Base-Backbone interact. energy: -0.032
local terms energy: -68.946769
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -8.443
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: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -220.002111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.002111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.002111 (E_RNA)
where:
Base-Base interactions energy: -136.658
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.107
local terms energy: -83.237397
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -169.870415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.870415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.870415 (E_RNA)
where:
Base-Base interactions energy: -113.196
where: short stacking energy: -56.238
Base-Backbone interact. energy: -0.089
local terms energy: -56.585841
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -11.569
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: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -123.976492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.976492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.976492 (E_RNA)
where:
Base-Base interactions energy: -69.938
where: short stacking energy: -44.418
Base-Backbone interact. energy: -0.428
local terms energy: -53.610563
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -92.287607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.287607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.287607 (E_RNA)
where:
Base-Base interactions energy: -37.614
where: short stacking energy: -37.614
Base-Backbone interact. energy: -0.203
local terms energy: -54.470282
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -7.416
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: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -78.671734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.671734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.671734 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.051
local terms energy: -46.525044
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -82.757431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.757431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.757431 (E_RNA)
where:
Base-Base interactions energy: -27.582
where: short stacking energy: -27.582
Base-Backbone interact. energy: -0.158
local terms energy: -55.017393
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -226.739296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739296 (E_RNA)
where:
Base-Base interactions energy: -148.919
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.000
local terms energy: -77.819422
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -207.286145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.286145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.286145 (E_RNA)
where:
Base-Base interactions energy: -136.973
where: short stacking energy: -70.678
Base-Backbone interact. energy: -0.085
local terms energy: -70.228225
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -190.131135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.131135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.131135 (E_RNA)
where:
Base-Base interactions energy: -124.909
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.089
local terms energy: -65.134021
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -208.296977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.296977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.296977 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -65.922
Base-Backbone interact. energy: -0.729
local terms energy: -69.839176
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -197.003332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.003332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.003332 (E_RNA)
where:
Base-Base interactions energy: -124.712
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.143
local terms energy: -72.148617
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -185.254789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.254789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.254789 (E_RNA)
where:
Base-Base interactions energy: -117.579
where: short stacking energy: -54.288
Base-Backbone interact. energy: -0.127
local terms energy: -67.548610
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -123.667093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.667093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.667093 (E_RNA)
where:
Base-Base interactions energy: -68.512
where: short stacking energy: -38.260
Base-Backbone interact. energy: -0.091
local terms energy: -55.063938
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -9.295
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: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -87.384240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.384240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.384240 (E_RNA)
where:
Base-Base interactions energy: -33.381
where: short stacking energy: -24.282
Base-Backbone interact. energy: -0.075
local terms energy: -53.928463
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -75.011277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.011277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.011277 (E_RNA)
where:
Base-Base interactions energy: -28.086
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.550
local terms energy: -46.374833
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -82.909821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.909821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.909821 (E_RNA)
where:
Base-Base interactions energy: -33.401
where: short stacking energy: -33.401
Base-Backbone interact. energy: -0.545
local terms energy: -48.963216
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -6.013
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: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -227.397901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.397901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.397901 (E_RNA)
where:
Base-Base interactions energy: -150.900
where: short stacking energy: -74.698
Base-Backbone interact. energy: -0.002
local terms energy: -76.495064
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -209.484123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.484123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.484123 (E_RNA)
where:
Base-Base interactions energy: -134.274
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.089
local terms energy: -75.120904
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -19.389
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: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -213.320833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.320833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.320833 (E_RNA)
where:
Base-Base interactions energy: -139.487
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.883
local terms energy: -72.950820
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -213.464862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464862 (E_RNA)
where:
Base-Base interactions energy: -143.249
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.266
local terms energy: -69.950243
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -181.233749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.233749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.233749 (E_RNA)
where:
Base-Base interactions energy: -106.954
where: short stacking energy: -60.007
Base-Backbone interact. energy: -0.003
local terms energy: -74.276605
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -173.641606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.641606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.641606 (E_RNA)
where:
Base-Base interactions energy: -107.918
where: short stacking energy: -49.016
Base-Backbone interact. energy: -0.027
local terms energy: -65.696145
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -11.110
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: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -135.899318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.899318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.899318 (E_RNA)
where:
Base-Base interactions energy: -77.245
where: short stacking energy: -49.340
Base-Backbone interact. energy: 0.055
local terms energy: -58.709361
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -83.477333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477333 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -14.817
Base-Backbone interact. energy: -0.206
local terms energy: -53.970280
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: 3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -69.917867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.917867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.917867 (E_RNA)
where:
Base-Base interactions energy: -32.475
where: short stacking energy: -32.046
Base-Backbone interact. energy: 1.923
local terms energy: -39.365712
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -7.457
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -1.439
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: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -81.294846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.294846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.294846 (E_RNA)
where:
Base-Base interactions energy: -27.632
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.092
local terms energy: -53.570775
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -2.128
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: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -233.515022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.515022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.515022 (E_RNA)
where:
Base-Base interactions energy: -152.668
where: short stacking energy: -74.554
Base-Backbone interact. energy: -0.001
local terms energy: -80.845291
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -13.682
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: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -214.160900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.160900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.160900 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -70.873
Base-Backbone interact. energy: -0.010
local terms energy: -72.065466
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -213.403787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.403787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.403787 (E_RNA)
where:
Base-Base interactions energy: -138.062
where: short stacking energy: -67.542
Base-Backbone interact. energy: -0.124
local terms energy: -75.217874
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -215.608144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.608144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.608144 (E_RNA)
where:
Base-Base interactions energy: -142.080
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.706
local terms energy: -72.821719
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -12.670
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: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -202.861674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.861674 (E_RNA)
where:
Base-Base interactions energy: -127.286
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.000
local terms energy: -75.575268
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -20.259
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: 107
Temperature: 1.150000
Total energy: -197.304138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.304138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.304138 (E_RNA)
where:
Base-Base interactions energy: -134.437
where: short stacking energy: -63.912
Base-Backbone interact. energy: -0.017
local terms energy: -62.850215
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -128.093957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.093957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.093957 (E_RNA)
where:
Base-Base interactions energy: -75.751
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.841
local terms energy: -51.501757
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -6.422
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: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -93.472131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.472131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.472131 (E_RNA)
where:
Base-Base interactions energy: -43.147
where: short stacking energy: -31.148
Base-Backbone interact. energy: -0.663
local terms energy: -49.662481
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -5.785
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: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -78.259500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259500 (E_RNA)
where:
Base-Base interactions energy: -29.645
where: short stacking energy: -25.762
Base-Backbone interact. energy: -0.890
local terms energy: -47.724793
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -9.819
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: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -82.487629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.487629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.487629 (E_RNA)
where:
Base-Base interactions energy: -23.443
where: short stacking energy: -23.140
Base-Backbone interact. energy: -0.054
local terms energy: -58.990743
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -237.294250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.294250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.294250 (E_RNA)
where:
Base-Base interactions energy: -157.698
where: short stacking energy: -77.666
Base-Backbone interact. energy: 1.307
local terms energy: -80.903532
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -213.593418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.593418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593418 (E_RNA)
where:
Base-Base interactions energy: -138.881
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.003
local terms energy: -74.709623
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -220.860592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.860592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.860592 (E_RNA)
where:
Base-Base interactions energy: -149.163
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.002
local terms energy: -71.695889
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -217.476177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.476177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476177 (E_RNA)
where:
Base-Base interactions energy: -139.650
where: short stacking energy: -76.754
Base-Backbone interact. energy: -0.293
local terms energy: -77.533668
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -9.322
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: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -192.116968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.116968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.116968 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.013
local terms energy: -68.721744
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -193.056491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056491 (E_RNA)
where:
Base-Base interactions energy: -121.889
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.081
local terms energy: -71.086145
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -147.495544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.495544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.495544 (E_RNA)
where:
Base-Base interactions energy: -90.304
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.347
local terms energy: -56.844533
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -118.399271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.399271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.399271 (E_RNA)
where:
Base-Base interactions energy: -65.709
where: short stacking energy: -32.527
Base-Backbone interact. energy: 1.782
local terms energy: -54.471933
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -79.441949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.441949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.441949 (E_RNA)
where:
Base-Base interactions energy: -25.027
where: short stacking energy: -24.766
Base-Backbone interact. energy: -0.018
local terms energy: -54.396876
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -95.707290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.707290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.707290 (E_RNA)
where:
Base-Base interactions energy: -57.420
where: short stacking energy: -35.437
Base-Backbone interact. energy: -0.017
local terms energy: -38.270210
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -4.899
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -2.592
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: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -235.518990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.518990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.518990 (E_RNA)
where:
Base-Base interactions energy: -157.851
where: short stacking energy: -79.388
Base-Backbone interact. energy: -0.018
local terms energy: -77.649655
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -20.416
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: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -234.535344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.535344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.535344 (E_RNA)
where:
Base-Base interactions energy: -154.276
where: short stacking energy: -77.880
Base-Backbone interact. energy: -0.156
local terms energy: -80.103303
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -211.168830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.168830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.168830 (E_RNA)
where:
Base-Base interactions energy: -137.020
where: short stacking energy: -74.231
Base-Backbone interact. energy: -0.002
local terms energy: -74.146688
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -12.045
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: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -201.311594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.311594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.311594 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.006
local terms energy: -65.371886
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -210.976298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.976298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.976298 (E_RNA)
where:
Base-Base interactions energy: -132.173
where: short stacking energy: -63.561
Base-Backbone interact. energy: -0.280
local terms energy: -78.523608
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -160.535344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.535344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.535344 (E_RNA)
where:
Base-Base interactions energy: -102.377
where: short stacking energy: -53.984
Base-Backbone interact. energy: -0.884
local terms energy: -57.274936
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -181.213124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.213124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.213124 (E_RNA)
where:
Base-Base interactions energy: -110.696
where: short stacking energy: -51.589
Base-Backbone interact. energy: -0.033
local terms energy: -70.483787
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -14.392
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: 109
Temperature: 1.250000
Total energy: -82.883159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.883159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.883159 (E_RNA)
where:
Base-Base interactions energy: -33.551
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.004
local terms energy: -49.328184
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -84.007668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.007668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.007668 (E_RNA)
where:
Base-Base interactions energy: -49.681
where: short stacking energy: -26.213
Base-Backbone interact. energy: -0.148
local terms energy: -34.178823
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -78.274770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.274770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.274770 (E_RNA)
where:
Base-Base interactions energy: -27.143
where: short stacking energy: -24.054
Base-Backbone interact. energy: -0.068
local terms energy: -51.064363
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -11.341
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: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -233.416858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.416858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.416858 (E_RNA)
where:
Base-Base interactions energy: -154.613
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.606
local terms energy: -78.197646
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -11.768
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: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -228.711702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.711702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.711702 (E_RNA)
where:
Base-Base interactions energy: -156.119
where: short stacking energy: -74.013
Base-Backbone interact. energy: -0.001
local terms energy: -72.591285
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -211.718185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.718185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.718185 (E_RNA)
where:
Base-Base interactions energy: -131.456
where: short stacking energy: -67.446
Base-Backbone interact. energy: 0.377
local terms energy: -80.639336
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -212.767935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.767935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.767935 (E_RNA)
where:
Base-Base interactions energy: -138.272
where: short stacking energy: -70.204
Base-Backbone interact. energy: 0.540
local terms energy: -75.035669
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -198.851108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.851108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.851108 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -63.502
Base-Backbone interact. energy: -0.109
local terms energy: -75.012909
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.431
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: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -137.139081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.139081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.139081 (E_RNA)
where:
Base-Base interactions energy: -83.259
where: short stacking energy: -34.294
Base-Backbone interact. energy: -0.649
local terms energy: -53.230664
where:
bonds (distance) C4'-P energy: -6.222
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -7.049
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: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -166.194807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.194807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.194807 (E_RNA)
where:
Base-Base interactions energy: -104.915
where: short stacking energy: -47.854
Base-Backbone interact. energy: -0.039
local terms energy: -61.240856
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -11.208
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: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -85.188145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.188145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.188145 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -22.760
Base-Backbone interact. energy: -0.316
local terms energy: -52.362046
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -8.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -84.404030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.404030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.404030 (E_RNA)
where:
Base-Base interactions energy: -28.478
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.035
local terms energy: -55.891128
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -73.964508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.964508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.964508 (E_RNA)
where:
Base-Base interactions energy: -22.273
where: short stacking energy: -22.273
Base-Backbone interact. energy: -1.714
local terms energy: -49.976798
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -229.144672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.144672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.144672 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -71.382
Base-Backbone interact. energy: -0.006
local terms energy: -78.161605
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -215.247836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.247836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.247836 (E_RNA)
where:
Base-Base interactions energy: -139.174
where: short stacking energy: -71.117
Base-Backbone interact. energy: -0.000
local terms energy: -76.073340
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -225.805747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.805747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.805747 (E_RNA)
where:
Base-Base interactions energy: -152.140
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.659
local terms energy: -73.006805
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -198.893816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.893816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.893816 (E_RNA)
where:
Base-Base interactions energy: -124.624
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.001
local terms energy: -74.268739
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -218.175273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.175273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.175273 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -73.109
Base-Backbone interact. energy: -0.057
local terms energy: -75.887102
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.018
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: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -223.627926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.627926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.627926 (E_RNA)
where:
Base-Base interactions energy: -157.446
where: short stacking energy: -73.690
Base-Backbone interact. energy: -0.059
local terms energy: -66.122942
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.497
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: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -155.352785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.352785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.352785 (E_RNA)
where:
Base-Base interactions energy: -81.106
where: short stacking energy: -48.153
Base-Backbone interact. energy: 1.111
local terms energy: -75.357760
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -13.641
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: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -83.697283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.697283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.697283 (E_RNA)
where:
Base-Base interactions energy: -25.150
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.071
local terms energy: -58.476325
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -80.501139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.501139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.501139 (E_RNA)
where:
Base-Base interactions energy: -30.219
where: short stacking energy: -30.219
Base-Backbone interact. energy: -0.022
local terms energy: -50.260634
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -78.423950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.423950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.423950 (E_RNA)
where:
Base-Base interactions energy: -28.427
where: short stacking energy: -22.595
Base-Backbone interact. energy: -0.033
local terms energy: -49.964241
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -4.729
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -239.565984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.565984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.565984 (E_RNA)
where:
Base-Base interactions energy: -159.434
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.001
local terms energy: -80.130893
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -20.162
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: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -207.416563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.416563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.416563 (E_RNA)
where:
Base-Base interactions energy: -131.297
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.077
local terms energy: -76.042088
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.885
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: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -219.186806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186806 (E_RNA)
where:
Base-Base interactions energy: -148.874
where: short stacking energy: -65.579
Base-Backbone interact. energy: -0.243
local terms energy: -70.069757
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -204.727873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.727873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.727873 (E_RNA)
where:
Base-Base interactions energy: -133.947
where: short stacking energy: -65.166
Base-Backbone interact. energy: -0.023
local terms energy: -70.757403
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -19.827
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: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -211.768425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.768425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.768425 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.575
local terms energy: -77.134653
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -216.381024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.381024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.381024 (E_RNA)
where:
Base-Base interactions energy: -145.381
where: short stacking energy: -63.247
Base-Backbone interact. energy: -0.008
local terms energy: -70.992460
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -137.498652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.498652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.498652 (E_RNA)
where:
Base-Base interactions energy: -76.768
where: short stacking energy: -45.153
Base-Backbone interact. energy: -0.077
local terms energy: -60.652825
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -96.970953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.970953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.970953 (E_RNA)
where:
Base-Base interactions energy: -38.827
where: short stacking energy: -35.948
Base-Backbone interact. energy: 0.644
local terms energy: -58.787338
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -74.456941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.456941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.456941 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -25.754
Base-Backbone interact. energy: -0.063
local terms energy: -45.622494
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -1.760
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -70.449041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.449041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.449041 (E_RNA)
where:
Base-Base interactions energy: -21.936
where: short stacking energy: -18.240
Base-Backbone interact. energy: -0.054
local terms energy: -48.458483
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -234.216788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.216788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.216788 (E_RNA)
where:
Base-Base interactions energy: -157.318
where: short stacking energy: -74.539
Base-Backbone interact. energy: -0.122
local terms energy: -76.776742
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -222.963774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.963774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.963774 (E_RNA)
where:
Base-Base interactions energy: -143.480
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.008
local terms energy: -79.475962
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -11.336
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: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -210.198844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.198844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.198844 (E_RNA)
where:
Base-Base interactions energy: -142.055
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.237
local terms energy: -67.906626
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -223.179210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.179210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.179210 (E_RNA)
where:
Base-Base interactions energy: -155.575
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.001
local terms energy: -67.602687
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -20.149
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: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -207.176026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.176026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.176026 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -68.762
Base-Backbone interact. energy: -0.290
local terms energy: -75.077687
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -176.806322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.806322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.806322 (E_RNA)
where:
Base-Base interactions energy: -115.480
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.021
local terms energy: -61.304849
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -103.711612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.711612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.711612 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -37.505
Base-Backbone interact. energy: -0.004
local terms energy: -66.202607
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -86.457913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.457913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.457913 (E_RNA)
where:
Base-Base interactions energy: -32.049
where: short stacking energy: -20.394
Base-Backbone interact. energy: 0.005
local terms energy: -54.413570
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -8.731
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: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -79.802184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.802184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.802184 (E_RNA)
where:
Base-Base interactions energy: -30.619
where: short stacking energy: -26.807
Base-Backbone interact. energy: -0.190
local terms energy: -48.993333
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -9.400
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: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -69.768860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.768860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.768860 (E_RNA)
where:
Base-Base interactions energy: -23.952
where: short stacking energy: -23.376
Base-Backbone interact. energy: 0.372
local terms energy: -46.189066
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -1.762
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: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -222.220360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.220360 (E_RNA)
where:
Base-Base interactions energy: -143.846
where: short stacking energy: -71.406
Base-Backbone interact. energy: -0.159
local terms energy: -78.215339
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -17.339
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: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -230.022972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.022972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.022972 (E_RNA)
where:
Base-Base interactions energy: -158.096
where: short stacking energy: -75.478
Base-Backbone interact. energy: -0.100
local terms energy: -71.827676
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -22.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -229.671449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.671449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.671449 (E_RNA)
where:
Base-Base interactions energy: -153.015
where: short stacking energy: -72.602
Base-Backbone interact. energy: -0.280
local terms energy: -76.376832
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -22.847
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: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -213.536650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536650 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.019
local terms energy: -73.145898
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -204.605702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605702 (E_RNA)
where:
Base-Base interactions energy: -128.186
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.016
local terms energy: -76.403639
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -180.126916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.126916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.126916 (E_RNA)
where:
Base-Base interactions energy: -114.316
where: short stacking energy: -57.721
Base-Backbone interact. energy: 0.931
local terms energy: -66.741612
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -16.902
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: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -90.310109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.310109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.310109 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.045
local terms energy: -56.888463
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -84.968948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.968948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.968948 (E_RNA)
where:
Base-Base interactions energy: -33.686
where: short stacking energy: -33.686
Base-Backbone interact. energy: -0.055
local terms energy: -51.227318
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -5.672
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -88.518533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.518533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.518533 (E_RNA)
where:
Base-Base interactions energy: -48.367
where: short stacking energy: -30.188
Base-Backbone interact. energy: -1.029
local terms energy: -39.123072
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -70.468375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.468375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.468375 (E_RNA)
where:
Base-Base interactions energy: -30.350
where: short stacking energy: -24.205
Base-Backbone interact. energy: -0.042
local terms energy: -40.077082
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -228.771190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.771190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.771190 (E_RNA)
where:
Base-Base interactions energy: -154.642
where: short stacking energy: -72.715
Base-Backbone interact. energy: -0.022
local terms energy: -74.107547
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -8.307
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -234.123827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.123827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.123827 (E_RNA)
where:
Base-Base interactions energy: -160.413
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.115
local terms energy: -73.595746
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -18.243
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: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -226.654361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.654361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.654361 (E_RNA)
where:
Base-Base interactions energy: -146.431
where: short stacking energy: -67.492
Base-Backbone interact. energy: -1.162
local terms energy: -79.062076
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -215.898250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.898250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.898250 (E_RNA)
where:
Base-Base interactions energy: -140.059
where: short stacking energy: -68.071
Base-Backbone interact. energy: -0.189
local terms energy: -75.650758
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -200.941079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.941079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.941079 (E_RNA)
where:
Base-Base interactions energy: -133.711
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.045
local terms energy: -67.184958
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -21.198
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: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -191.249975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.249975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.249975 (E_RNA)
where:
Base-Base interactions energy: -132.940
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.040
local terms energy: -58.269431
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -82.794985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.794985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.794985 (E_RNA)
where:
Base-Base interactions energy: -25.812
where: short stacking energy: -17.360
Base-Backbone interact. energy: -0.332
local terms energy: -56.650867
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -93.434606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.434606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.434606 (E_RNA)
where:
Base-Base interactions energy: -44.633
where: short stacking energy: -44.633
Base-Backbone interact. energy: -1.360
local terms energy: -47.440855
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -6.974
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: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -75.796558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.796558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.796558 (E_RNA)
where:
Base-Base interactions energy: -36.081
where: short stacking energy: -36.081
Base-Backbone interact. energy: 1.682
local terms energy: -41.397776
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -69.148573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.148573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.148573 (E_RNA)
where:
Base-Base interactions energy: -23.741
where: short stacking energy: -14.337
Base-Backbone interact. energy: 1.742
local terms energy: -47.149652
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: 2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -239.932496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.932496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.932496 (E_RNA)
where:
Base-Base interactions energy: -162.499
where: short stacking energy: -74.725
Base-Backbone interact. energy: -0.228
local terms energy: -77.205197
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -236.794776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.794776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.794776 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -75.876
Base-Backbone interact. energy: -0.007
local terms energy: -79.637271
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -22.403
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: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -230.580515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.580515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.580515 (E_RNA)
where:
Base-Base interactions energy: -147.967
where: short stacking energy: -76.542
Base-Backbone interact. energy: -0.122
local terms energy: -82.491383
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -203.443307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.443307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.443307 (E_RNA)
where:
Base-Base interactions energy: -126.840
where: short stacking energy: -64.686
Base-Backbone interact. energy: -0.035
local terms energy: -76.568400
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -192.915291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.915291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.915291 (E_RNA)
where:
Base-Base interactions energy: -125.989
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.093
local terms energy: -66.833098
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -17.954
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: 116
Temperature: 1.150000
Total energy: -179.894792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.894792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.894792 (E_RNA)
where:
Base-Base interactions energy: -117.744
where: short stacking energy: -48.036
Base-Backbone interact. energy: -0.177
local terms energy: -61.973817
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -8.742
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: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -82.940964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.940964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.940964 (E_RNA)
where:
Base-Base interactions energy: -32.416
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.423
local terms energy: -50.102605
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -80.882264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.882264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.882264 (E_RNA)
where:
Base-Base interactions energy: -35.318
where: short stacking energy: -35.318
Base-Backbone interact. energy: -0.051
local terms energy: -45.513159
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -4.122
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: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -97.380200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.380200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.380200 (E_RNA)
where:
Base-Base interactions energy: -42.467
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.216
local terms energy: -54.697356
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -85.375933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.375933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.375933 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -33.280
Base-Backbone interact. energy: -0.759
local terms energy: -42.117516
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -7.904
flat angles C4'-P-C4' energy: -7.662
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -233.589104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.589104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.589104 (E_RNA)
where:
Base-Base interactions energy: -158.875
where: short stacking energy: -75.029
Base-Backbone interact. energy: 0.542
local terms energy: -75.256115
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -233.805528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.805528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.805528 (E_RNA)
where:
Base-Base interactions energy: -156.659
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.237
local terms energy: -76.910017
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -16.304
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: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -226.004405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.004405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.004405 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -77.418
Base-Backbone interact. energy: -0.082
local terms energy: -78.354971
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -198.031187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.031187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.031187 (E_RNA)
where:
Base-Base interactions energy: -128.875
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.111
local terms energy: -69.045439
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -169.599533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.599533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.599533 (E_RNA)
where:
Base-Base interactions energy: -102.940
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.186
local terms energy: -66.473811
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -175.376486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.376486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.376486 (E_RNA)
where:
Base-Base interactions energy: -115.703
where: short stacking energy: -41.019
Base-Backbone interact. energy: -1.183
local terms energy: -58.490123
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -7.678
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: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -95.144643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.144643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.144643 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -36.196
Base-Backbone interact. energy: -0.074
local terms energy: -58.873931
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -4.577
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: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -81.008510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.008510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.008510 (E_RNA)
where:
Base-Base interactions energy: -27.763
where: short stacking energy: -26.774
Base-Backbone interact. energy: 0.278
local terms energy: -53.523407
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -1.402
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: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -77.927789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.927789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.927789 (E_RNA)
where:
Base-Base interactions energy: -29.347
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.200
local terms energy: -48.381426
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -72.372541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.372541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.372541 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -19.807
Base-Backbone interact. energy: -0.329
local terms energy: -43.479599
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -2.388
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -235.537239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.537239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.537239 (E_RNA)
where:
Base-Base interactions energy: -161.098
where: short stacking energy: -76.696
Base-Backbone interact. energy: -0.231
local terms energy: -74.208665
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -23.674
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: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -231.016374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.016374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.016374 (E_RNA)
where:
Base-Base interactions energy: -150.352
where: short stacking energy: -69.942
Base-Backbone interact. energy: 0.373
local terms energy: -81.037422
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -227.994065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.994065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.994065 (E_RNA)
where:
Base-Base interactions energy: -150.162
where: short stacking energy: -73.216
Base-Backbone interact. energy: -0.001
local terms energy: -77.831577
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -204.651581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.651581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.651581 (E_RNA)
where:
Base-Base interactions energy: -131.988
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.008
local terms energy: -72.655045
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -17.889
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: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -188.999659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.999659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.999659 (E_RNA)
where:
Base-Base interactions energy: -125.416
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.035
local terms energy: -63.548836
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -184.410997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.410997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.410997 (E_RNA)
where:
Base-Base interactions energy: -124.724
where: short stacking energy: -58.146
Base-Backbone interact. energy: 0.884
local terms energy: -60.570234
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -12.860
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: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -98.191127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.191127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.191127 (E_RNA)
where:
Base-Base interactions energy: -44.043
where: short stacking energy: -43.796
Base-Backbone interact. energy: -0.202
local terms energy: -53.945669
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -8.448
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: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -90.836197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836197 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -31.982
Base-Backbone interact. energy: -0.151
local terms energy: -55.499202
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -1.372
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: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -74.793663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.793663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.793663 (E_RNA)
where:
Base-Base interactions energy: -19.606
where: short stacking energy: -16.524
Base-Backbone interact. energy: -0.257
local terms energy: -54.930816
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -82.460866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.460866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.460866 (E_RNA)
where:
Base-Base interactions energy: -28.635
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.840
local terms energy: -52.985984
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -235.116866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.116866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.116866 (E_RNA)
where:
Base-Base interactions energy: -150.168
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.004
local terms energy: -84.944995
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -238.126057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.126057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.126057 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.836
local terms energy: -79.177506
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -212.853344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.853344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.853344 (E_RNA)
where:
Base-Base interactions energy: -136.584
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.000
local terms energy: -76.269520
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -11.641
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: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -196.516591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.516591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.516591 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -61.170
Base-Backbone interact. energy: -0.001
local terms energy: -74.114283
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -201.832842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.832842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.832842 (E_RNA)
where:
Base-Base interactions energy: -123.737
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.742
local terms energy: -77.353976
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.395
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: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -183.287431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.287431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.287431 (E_RNA)
where:
Base-Base interactions energy: -113.766
where: short stacking energy: -52.957
Base-Backbone interact. energy: -0.042
local terms energy: -69.479493
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -87.917262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.917262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.917262 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -26.458
Base-Backbone interact. energy: 0.724
local terms energy: -57.916806
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -84.087356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.087356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.087356 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -22.653
Base-Backbone interact. energy: -0.286
local terms energy: -49.234722
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: 1.136
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: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -92.888864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.888864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.888864 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -24.097
Base-Backbone interact. energy: -0.027
local terms energy: -45.790425
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -93.698625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.698625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.698625 (E_RNA)
where:
Base-Base interactions energy: -47.596
where: short stacking energy: -18.267
Base-Backbone interact. energy: -0.025
local terms energy: -46.077853
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: 1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -245.764757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.764757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.764757 (E_RNA)
where:
Base-Base interactions energy: -163.203
where: short stacking energy: -77.289
Base-Backbone interact. energy: -0.240
local terms energy: -82.322151
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -23.702
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: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -230.365667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.365667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.365667 (E_RNA)
where:
Base-Base interactions energy: -154.100
where: short stacking energy: -73.881
Base-Backbone interact. energy: 0.172
local terms energy: -76.438136
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -8.217
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: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -228.169912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.169912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.169912 (E_RNA)
where:
Base-Base interactions energy: -148.967
where: short stacking energy: -69.054
Base-Backbone interact. energy: -0.004
local terms energy: -79.199584
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.800
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: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -196.654375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.654375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.654375 (E_RNA)
where:
Base-Base interactions energy: -129.616
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.044
local terms energy: -66.994604
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -5.738
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: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -191.842808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.842808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.842808 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -64.094
Base-Backbone interact. energy: -1.259
local terms energy: -70.066459
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.161
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: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -163.208720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.208720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.208720 (E_RNA)
where:
Base-Base interactions energy: -107.303
where: short stacking energy: -51.414
Base-Backbone interact. energy: -0.259
local terms energy: -55.646768
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -100.167217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.167217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.167217 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.002
local terms energy: -57.278101
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.938
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: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -81.430186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.430186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.430186 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -25.329
Base-Backbone interact. energy: -1.301
local terms energy: -45.805740
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -7.589
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -79.631304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.631304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.631304 (E_RNA)
where:
Base-Base interactions energy: -27.745
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.693
local terms energy: -51.193970
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -78.802249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.802249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.802249 (E_RNA)
where:
Base-Base interactions energy: -22.639
where: short stacking energy: -19.029
Base-Backbone interact. energy: -0.099
local terms energy: -56.064023
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -11.716
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: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -232.414235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.414235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.414235 (E_RNA)
where:
Base-Base interactions energy: -159.783
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.024
local terms energy: -72.607361
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -237.738478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.738478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.738478 (E_RNA)
where:
Base-Base interactions energy: -155.045
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.001
local terms energy: -82.692066
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -227.438271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.438271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.438271 (E_RNA)
where:
Base-Base interactions energy: -149.254
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.002
local terms energy: -78.182820
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -200.025760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.025760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.025760 (E_RNA)
where:
Base-Base interactions energy: -129.232
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.017
local terms energy: -70.776461
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -176.855410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.855410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.855410 (E_RNA)
where:
Base-Base interactions energy: -108.893
where: short stacking energy: -53.531
Base-Backbone interact. energy: -0.480
local terms energy: -67.481746
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -14.895
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -164.564629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.564629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.564629 (E_RNA)
where:
Base-Base interactions energy: -106.747
where: short stacking energy: -50.697
Base-Backbone interact. energy: 0.106
local terms energy: -57.923973
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -12.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -107.567023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.567023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.567023 (E_RNA)
where:
Base-Base interactions energy: -57.800
where: short stacking energy: -33.972
Base-Backbone interact. energy: -0.068
local terms energy: -49.699438
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -83.260297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.260297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.260297 (E_RNA)
where:
Base-Base interactions energy: -40.597
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.042
local terms energy: -42.621992
where:
bonds (distance) C4'-P energy: -6.068
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -5.659
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -8.974
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: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -90.205546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.205546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.205546 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -34.324
Base-Backbone interact. energy: -0.048
local terms energy: -47.105599
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -3.166
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: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -73.081346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.081346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.081346 (E_RNA)
where:
Base-Base interactions energy: -26.298
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.172
local terms energy: -46.610936
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -232.783005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.783005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.783005 (E_RNA)
where:
Base-Base interactions energy: -152.568
where: short stacking energy: -76.137
Base-Backbone interact. energy: 0.597
local terms energy: -80.812105
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -226.404243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.404243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.404243 (E_RNA)
where:
Base-Base interactions energy: -151.973
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.103
local terms energy: -74.329139
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -200.768229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.768229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.768229 (E_RNA)
where:
Base-Base interactions energy: -128.318
where: short stacking energy: -59.151
Base-Backbone interact. energy: -0.171
local terms energy: -72.278653
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -17.204
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: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -211.225387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.225387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.225387 (E_RNA)
where:
Base-Base interactions energy: -144.405
where: short stacking energy: -75.829
Base-Backbone interact. energy: -0.005
local terms energy: -66.815251
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -182.747882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.747882 (E_RNA)
where:
Base-Base interactions energy: -112.221
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.012
local terms energy: -70.514665
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -173.901953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.901953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.901953 (E_RNA)
where:
Base-Base interactions energy: -118.028
where: short stacking energy: -55.581
Base-Backbone interact. energy: 2.700
local terms energy: -58.574282
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -91.864554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.864554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.864554 (E_RNA)
where:
Base-Base interactions energy: -38.616
where: short stacking energy: -28.515
Base-Backbone interact. energy: 1.677
local terms energy: -54.925979
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -115.152029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.152029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.152029 (E_RNA)
where:
Base-Base interactions energy: -61.752
where: short stacking energy: -31.373
Base-Backbone interact. energy: -0.987
local terms energy: -52.413790
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -85.250213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.250213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.250213 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.233
local terms energy: -53.081690
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -2.220
tors. eta vs tors. theta energy: -7.522
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: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -70.912636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.912636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.912636 (E_RNA)
where:
Base-Base interactions energy: -26.624
where: short stacking energy: -24.735
Base-Backbone interact. energy: -0.111
local terms energy: -44.177441
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -2.510
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: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -233.996998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.996998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.996998 (E_RNA)
where:
Base-Base interactions energy: -151.644
where: short stacking energy: -74.468
Base-Backbone interact. energy: -0.164
local terms energy: -82.189044
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -236.752414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.752414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.752414 (E_RNA)
where:
Base-Base interactions energy: -159.157
where: short stacking energy: -73.637
Base-Backbone interact. energy: -0.522
local terms energy: -77.073285
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -201.812105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.812105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.812105 (E_RNA)
where:
Base-Base interactions energy: -126.546
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.050
local terms energy: -75.215432
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -15.822
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: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -207.871150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.871150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.871150 (E_RNA)
where:
Base-Base interactions energy: -137.424
where: short stacking energy: -61.245
Base-Backbone interact. energy: -0.013
local terms energy: -70.434172
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -214.915863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.915863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.915863 (E_RNA)
where:
Base-Base interactions energy: -152.466
where: short stacking energy: -74.324
Base-Backbone interact. energy: -0.082
local terms energy: -62.368141
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -7.091
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -205.204206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.204206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.204206 (E_RNA)
where:
Base-Base interactions energy: -131.730
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.037
local terms energy: -73.436845
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.736
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: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -111.153569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.153569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.153569 (E_RNA)
where:
Base-Base interactions energy: -64.109
where: short stacking energy: -27.311
Base-Backbone interact. energy: -0.262
local terms energy: -46.782426
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -107.017472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.017472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.017472 (E_RNA)
where:
Base-Base interactions energy: -48.244
where: short stacking energy: -34.508
Base-Backbone interact. energy: 0.008
local terms energy: -58.781714
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -78.913272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.913272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.913272 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -29.533
Base-Backbone interact. energy: -0.259
local terms energy: -46.087127
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -74.069682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.069682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.069682 (E_RNA)
where:
Base-Base interactions energy: -21.171
where: short stacking energy: -20.355
Base-Backbone interact. energy: -0.497
local terms energy: -52.402182
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -12.361
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: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -233.395065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.395065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.395065 (E_RNA)
where:
Base-Base interactions energy: -167.454
where: short stacking energy: -75.283
Base-Backbone interact. energy: -0.003
local terms energy: -65.937813
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -226.646901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.646901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.646901 (E_RNA)
where:
Base-Base interactions energy: -147.992
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.002
local terms energy: -78.652347
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -22.556
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: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -215.233161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.233161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.233161 (E_RNA)
where:
Base-Base interactions energy: -140.304
where: short stacking energy: -74.145
Base-Backbone interact. energy: -0.018
local terms energy: -74.911366
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -199.327725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.327725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.327725 (E_RNA)
where:
Base-Base interactions energy: -128.832
where: short stacking energy: -65.593
Base-Backbone interact. energy: -0.012
local terms energy: -70.484226
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -221.490805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.490805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.490805 (E_RNA)
where:
Base-Base interactions energy: -147.302
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.044
local terms energy: -74.144970
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -167.664938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.664938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.664938 (E_RNA)
where:
Base-Base interactions energy: -97.856
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.343
local terms energy: -69.465206
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -10.039
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: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -100.861572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.861572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.861572 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -39.513
Base-Backbone interact. energy: -0.224
local terms energy: -61.002461
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -82.796302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.796302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.796302 (E_RNA)
where:
Base-Base interactions energy: -25.961
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.270
local terms energy: -56.565786
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -73.766831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.766831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.766831 (E_RNA)
where:
Base-Base interactions energy: -23.086
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.126
local terms energy: -50.554488
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -79.233508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.233508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.233508 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.320
local terms energy: -48.595717
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -6.691
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -234.855950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.855950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.855950 (E_RNA)
where:
Base-Base interactions energy: -157.354
where: short stacking energy: -69.105
Base-Backbone interact. energy: -0.189
local terms energy: -77.313495
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -232.717796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.717796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.717796 (E_RNA)
where:
Base-Base interactions energy: -156.263
where: short stacking energy: -73.330
Base-Backbone interact. energy: -0.001
local terms energy: -76.454293
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -217.566162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.566162 (E_RNA)
where:
Base-Base interactions energy: -138.736
where: short stacking energy: -72.995
Base-Backbone interact. energy: -0.001
local terms energy: -78.829094
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -201.279586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.279586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.279586 (E_RNA)
where:
Base-Base interactions energy: -126.510
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.007
local terms energy: -74.762193
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -170.567592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.567592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.567592 (E_RNA)
where:
Base-Base interactions energy: -103.395
where: short stacking energy: -54.439
Base-Backbone interact. energy: -0.005
local terms energy: -67.167660
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -188.078959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.078959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.078959 (E_RNA)
where:
Base-Base interactions energy: -120.799
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.048
local terms energy: -67.231921
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -12.203
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: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -90.210116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.210116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.210116 (E_RNA)
where:
Base-Base interactions energy: -40.682
where: short stacking energy: -32.499
Base-Backbone interact. energy: -0.255
local terms energy: -49.272762
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -86.278136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.278136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.278136 (E_RNA)
where:
Base-Base interactions energy: -39.563
where: short stacking energy: -24.616
Base-Backbone interact. energy: -0.830
local terms energy: -45.884869
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: 0.404
tors. eta vs tors. theta energy: -4.687
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: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -79.761616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.761616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.761616 (E_RNA)
where:
Base-Base interactions energy: -27.697
where: short stacking energy: -27.697
Base-Backbone interact. energy: -0.195
local terms energy: -51.869796
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -76.323955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.323955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.323955 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -24.375
Base-Backbone interact. energy: -0.260
local terms energy: -47.834456
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -228.949757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.949757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.949757 (E_RNA)
where:
Base-Base interactions energy: -159.003
where: short stacking energy: -76.675
Base-Backbone interact. energy: -0.008
local terms energy: -69.939114
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -225.195102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.195102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.195102 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -68.485
Base-Backbone interact. energy: -1.019
local terms energy: -77.135645
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -8.238
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: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -227.247041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.247041 (E_RNA)
where:
Base-Base interactions energy: -145.232
where: short stacking energy: -72.227
Base-Backbone interact. energy: -0.003
local terms energy: -82.011988
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -201.934377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.934377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.934377 (E_RNA)
where:
Base-Base interactions energy: -123.425
where: short stacking energy: -64.139
Base-Backbone interact. energy: 0.037
local terms energy: -78.546983
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -196.609327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.609327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.609327 (E_RNA)
where:
Base-Base interactions energy: -123.567
where: short stacking energy: -62.442
Base-Backbone interact. energy: 0.548
local terms energy: -73.590525
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -186.946930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.946930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.946930 (E_RNA)
where:
Base-Base interactions energy: -121.466
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.004
local terms energy: -65.476721
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -17.963
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: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -82.563733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.563733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.563733 (E_RNA)
where:
Base-Base interactions energy: -24.619
where: short stacking energy: -24.619
Base-Backbone interact. energy: -0.220
local terms energy: -57.724426
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -90.836050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836050 (E_RNA)
where:
Base-Base interactions energy: -43.568
where: short stacking energy: -38.984
Base-Backbone interact. energy: -0.315
local terms energy: -46.953200
where:
bonds (distance) C4'-P energy: -2.339
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -81.413701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.413701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.413701 (E_RNA)
where:
Base-Base interactions energy: -34.437
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.074
local terms energy: -46.903408
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -89.437642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.437642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.437642 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.003
local terms energy: -57.126383
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -232.176546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.176546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.176546 (E_RNA)
where:
Base-Base interactions energy: -154.229
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.005
local terms energy: -77.943111
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -223.278589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.278589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.278589 (E_RNA)
where:
Base-Base interactions energy: -147.571
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.046
local terms energy: -75.661483
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -19.810
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: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -207.293828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.293828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.293828 (E_RNA)
where:
Base-Base interactions energy: -138.470
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.094
local terms energy: -68.730417
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -7.041
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: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -209.567455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.567455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.567455 (E_RNA)
where:
Base-Base interactions energy: -141.122
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.395
local terms energy: -68.050442
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -16.714
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: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -182.675591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.675591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.675591 (E_RNA)
where:
Base-Base interactions energy: -124.128
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.610
local terms energy: -57.937883
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -213.494314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.494314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.494314 (E_RNA)
where:
Base-Base interactions energy: -132.778
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.012
local terms energy: -80.704421
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -90.159831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.159831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.159831 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -30.266
Base-Backbone interact. energy: -0.105
local terms energy: -59.788685
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -97.510604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.510604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.510604 (E_RNA)
where:
Base-Base interactions energy: -50.169
where: short stacking energy: -30.066
Base-Backbone interact. energy: 0.826
local terms energy: -48.167542
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -2.171
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -83.265797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.265797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.265797 (E_RNA)
where:
Base-Base interactions energy: -25.678
where: short stacking energy: -21.644
Base-Backbone interact. energy: -0.096
local terms energy: -57.492384
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.977
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: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -75.304865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.304865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.304865 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -33.826
Base-Backbone interact. energy: 0.171
local terms energy: -37.197695
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -6.276
flat angles P-C4'-P energy: -2.564
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: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -230.754488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.754488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.754488 (E_RNA)
where:
Base-Base interactions energy: -154.213
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.003
local terms energy: -76.538295
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -233.695151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.695151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.695151 (E_RNA)
where:
Base-Base interactions energy: -159.495
where: short stacking energy: -77.995
Base-Backbone interact. energy: 0.377
local terms energy: -74.577121
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -207.183960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.183960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.183960 (E_RNA)
where:
Base-Base interactions energy: -129.025
where: short stacking energy: -62.822
Base-Backbone interact. energy: -0.105
local terms energy: -78.053816
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -205.078347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.078347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.078347 (E_RNA)
where:
Base-Base interactions energy: -136.845
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.056
local terms energy: -68.177460
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -206.849944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.849944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.849944 (E_RNA)
where:
Base-Base interactions energy: -145.478
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.422
local terms energy: -60.950570
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -173.608608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.608608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.608608 (E_RNA)
where:
Base-Base interactions energy: -106.794
where: short stacking energy: -54.129
Base-Backbone interact. energy: -0.169
local terms energy: -66.645431
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -88.233811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.233811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.233811 (E_RNA)
where:
Base-Base interactions energy: -36.024
where: short stacking energy: -34.068
Base-Backbone interact. energy: -1.211
local terms energy: -50.998666
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -87.708283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.708283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.708283 (E_RNA)
where:
Base-Base interactions energy: -36.178
where: short stacking energy: -36.178
Base-Backbone interact. energy: -0.101
local terms energy: -51.429488
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -10.007
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: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -100.765286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.765286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.765286 (E_RNA)
where:
Base-Base interactions energy: -51.339
where: short stacking energy: -29.921
Base-Backbone interact. energy: -0.135
local terms energy: -49.290646
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -4.404
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: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -74.258464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.258464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.258464 (E_RNA)
where:
Base-Base interactions energy: -27.138
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.198
local terms energy: -46.922662
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -2.117
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: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -236.416571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.416571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.416571 (E_RNA)
where:
Base-Base interactions energy: -152.606
where: short stacking energy: -74.050
Base-Backbone interact. energy: -0.007
local terms energy: -83.804109
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -213.506323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.506323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.506323 (E_RNA)
where:
Base-Base interactions energy: -137.095
where: short stacking energy: -59.642
Base-Backbone interact. energy: -0.124
local terms energy: -76.287432
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -16.781
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: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -229.602402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.602402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.602402 (E_RNA)
where:
Base-Base interactions energy: -155.658
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.322
local terms energy: -73.622861
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -221.208037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.208037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.208037 (E_RNA)
where:
Base-Base interactions energy: -146.347
where: short stacking energy: -73.458
Base-Backbone interact. energy: 0.094
local terms energy: -74.954449
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.596
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: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -208.927253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.927253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.927253 (E_RNA)
where:
Base-Base interactions energy: -136.204
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.200
local terms energy: -72.522575
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -20.572
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -160.674924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.674924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.674924 (E_RNA)
where:
Base-Base interactions energy: -101.670
where: short stacking energy: -52.296
Base-Backbone interact. energy: 0.417
local terms energy: -59.422221
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -0.158
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -99.169558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.169558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.169558 (E_RNA)
where:
Base-Base interactions energy: -40.548
where: short stacking energy: -40.548
Base-Backbone interact. energy: -0.120
local terms energy: -58.501228
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -88.398025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.398025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.398025 (E_RNA)
where:
Base-Base interactions energy: -36.836
where: short stacking energy: -15.736
Base-Backbone interact. energy: -0.669
local terms energy: -50.892956
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: 2.007
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: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -82.668595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.668595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.668595 (E_RNA)
where:
Base-Base interactions energy: -40.853
where: short stacking energy: -26.068
Base-Backbone interact. energy: -0.581
local terms energy: -41.234693
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: 2.439
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: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -76.274591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.274591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.274591 (E_RNA)
where:
Base-Base interactions energy: -27.863
where: short stacking energy: -21.821
Base-Backbone interact. energy: 0.102
local terms energy: -48.513883
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -230.728037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.728037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.728037 (E_RNA)
where:
Base-Base interactions energy: -154.836
where: short stacking energy: -76.003
Base-Backbone interact. energy: 0.607
local terms energy: -76.498584
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -206.693274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.693274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.693274 (E_RNA)
where:
Base-Base interactions energy: -132.637
where: short stacking energy: -60.280
Base-Backbone interact. energy: -0.095
local terms energy: -73.960688
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -226.152876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.152876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.152876 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -75.165
Base-Backbone interact. energy: -0.004
local terms energy: -72.704206
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -219.115463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.115463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.115463 (E_RNA)
where:
Base-Base interactions energy: -139.603
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.001
local terms energy: -79.510875
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -203.052228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.052228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.052228 (E_RNA)
where:
Base-Base interactions energy: -126.772
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.540
local terms energy: -75.739840
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -10.139
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: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -184.476954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.476954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.476954 (E_RNA)
where:
Base-Base interactions energy: -115.702
where: short stacking energy: -57.722
Base-Backbone interact. energy: -0.000
local terms energy: -68.774504
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -99.540912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.540912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.540912 (E_RNA)
where:
Base-Base interactions energy: -43.317
where: short stacking energy: -27.301
Base-Backbone interact. energy: -0.644
local terms energy: -55.579674
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -108.485762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.485762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.485762 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -44.749
Base-Backbone interact. energy: -0.300
local terms energy: -58.875932
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -78.610358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.610358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.610358 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.003
local terms energy: -46.046516
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -67.431650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.431650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.431650 (E_RNA)
where:
Base-Base interactions energy: -19.910
where: short stacking energy: -19.419
Base-Backbone interact. energy: 3.775
local terms energy: -51.296744
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -230.768051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.768051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.768051 (E_RNA)
where:
Base-Base interactions energy: -151.560
where: short stacking energy: -72.530
Base-Backbone interact. energy: -0.002
local terms energy: -79.205811
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -230.586505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.586505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.586505 (E_RNA)
where:
Base-Base interactions energy: -150.093
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.768
local terms energy: -79.725709
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -24.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -201.678730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.678730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.678730 (E_RNA)
where:
Base-Base interactions energy: -133.360
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.488
local terms energy: -67.830585
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -13.881
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: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -206.995467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.995467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.995467 (E_RNA)
where:
Base-Base interactions energy: -137.180
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.036
local terms energy: -69.780148
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -195.262920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.262920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.262920 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -54.859
Base-Backbone interact. energy: -0.146
local terms energy: -70.281753
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -197.311995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.311995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.311995 (E_RNA)
where:
Base-Base interactions energy: -126.571
where: short stacking energy: -54.349
Base-Backbone interact. energy: -0.236
local terms energy: -70.505052
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -8.657
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: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -92.379309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.379309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.379309 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -24.244
Base-Backbone interact. energy: -0.141
local terms energy: -49.340350
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -90.936945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.936945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.936945 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -37.161
Base-Backbone interact. energy: 0.087
local terms energy: -50.589094
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -7.032
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: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -119.172300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.172300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.172300 (E_RNA)
where:
Base-Base interactions energy: -68.188
where: short stacking energy: -27.954
Base-Backbone interact. energy: -0.233
local terms energy: -50.750624
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -2.808
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: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -77.256834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.256834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.256834 (E_RNA)
where:
Base-Base interactions energy: -26.662
where: short stacking energy: -26.662
Base-Backbone interact. energy: -0.325
local terms energy: -50.269926
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -242.838542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.838542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.838542 (E_RNA)
where:
Base-Base interactions energy: -156.186
where: short stacking energy: -73.551
Base-Backbone interact. energy: -1.787
local terms energy: -84.865769
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -227.494482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.494482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.494482 (E_RNA)
where:
Base-Base interactions energy: -143.741
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.002
local terms energy: -83.751340
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -13.804
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: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -214.371818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.371818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.371818 (E_RNA)
where:
Base-Base interactions energy: -140.386
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.601
local terms energy: -73.384510
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -202.522717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.522717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.522717 (E_RNA)
where:
Base-Base interactions energy: -128.151
where: short stacking energy: -66.240
Base-Backbone interact. energy: 0.248
local terms energy: -74.619493
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -218.288747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.288747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.288747 (E_RNA)
where:
Base-Base interactions energy: -151.177
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.001
local terms energy: -67.110675
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -176.678037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.678037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.678037 (E_RNA)
where:
Base-Base interactions energy: -115.266
where: short stacking energy: -57.854
Base-Backbone interact. energy: -0.189
local terms energy: -61.223157
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -92.059949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.059949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.059949 (E_RNA)
where:
Base-Base interactions energy: -36.606
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.067
local terms energy: -55.386256
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -90.238214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.238214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.238214 (E_RNA)
where:
Base-Base interactions energy: -45.356
where: short stacking energy: -27.283
Base-Backbone interact. energy: -0.692
local terms energy: -44.190498
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -115.030719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.030719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.030719 (E_RNA)
where:
Base-Base interactions energy: -58.643
where: short stacking energy: -27.363
Base-Backbone interact. energy: -0.566
local terms energy: -55.821895
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -7.877
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: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -84.267023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.267023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.267023 (E_RNA)
where:
Base-Base interactions energy: -35.393
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.066
local terms energy: -48.808035
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -234.511433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.511433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.511433 (E_RNA)
where:
Base-Base interactions energy: -163.773
where: short stacking energy: -77.842
Base-Backbone interact. energy: -0.329
local terms energy: -70.409779
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -213.178785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.178785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.178785 (E_RNA)
where:
Base-Base interactions energy: -137.825
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.023
local terms energy: -75.330303
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -12.368
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: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -209.714561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.714561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.714561 (E_RNA)
where:
Base-Base interactions energy: -128.459
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.003
local terms energy: -81.252457
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -198.043763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.043763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.043763 (E_RNA)
where:
Base-Base interactions energy: -129.486
where: short stacking energy: -63.825
Base-Backbone interact. energy: -0.104
local terms energy: -68.454172
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -195.745857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.745857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.745857 (E_RNA)
where:
Base-Base interactions energy: -125.097
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.002
local terms energy: -70.646719
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -213.715160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.715160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.715160 (E_RNA)
where:
Base-Base interactions energy: -143.222
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.040
local terms energy: -70.453166
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -89.944841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.944841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.944841 (E_RNA)
where:
Base-Base interactions energy: -35.896
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.071
local terms energy: -53.977811
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -132.408067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.408067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.408067 (E_RNA)
where:
Base-Base interactions energy: -83.025
where: short stacking energy: -43.727
Base-Backbone interact. energy: -0.081
local terms energy: -49.302871
where:
bonds (distance) C4'-P energy: -5.687
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.048
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: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -80.925503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.925503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.925503 (E_RNA)
where:
Base-Base interactions energy: -26.559
where: short stacking energy: -21.255
Base-Backbone interact. energy: -0.764
local terms energy: -53.602338
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -3.699
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: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -72.215730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.215730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.215730 (E_RNA)
where:
Base-Base interactions energy: -23.612
where: short stacking energy: -21.729
Base-Backbone interact. energy: -0.272
local terms energy: -48.332108
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -236.814908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.814908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.814908 (E_RNA)
where:
Base-Base interactions energy: -154.200
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.000
local terms energy: -82.614161
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -216.587146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.587146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.587146 (E_RNA)
where:
Base-Base interactions energy: -131.314
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.245
local terms energy: -85.027736
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -212.376975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.376975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.376975 (E_RNA)
where:
Base-Base interactions energy: -137.909
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.164
local terms energy: -74.303064
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -180.991428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.991428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.991428 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -51.274
Base-Backbone interact. energy: -0.069
local terms energy: -61.649239
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -12.655
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: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -214.350601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.350601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.350601 (E_RNA)
where:
Base-Base interactions energy: -135.519
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.002
local terms energy: -78.830111
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -187.412438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.412438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.412438 (E_RNA)
where:
Base-Base interactions energy: -118.658
where: short stacking energy: -53.388
Base-Backbone interact. energy: -0.842
local terms energy: -67.912328
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -92.243913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.243913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.243913 (E_RNA)
where:
Base-Base interactions energy: -45.174
where: short stacking energy: -45.174
Base-Backbone interact. energy: -0.102
local terms energy: -46.968264
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -87.815488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815488 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -20.766
Base-Backbone interact. energy: -0.154
local terms energy: -56.202403
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -82.642301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.642301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.642301 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -23.681
Base-Backbone interact. energy: -0.205
local terms energy: -49.681377
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -76.895374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.895374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.895374 (E_RNA)
where:
Base-Base interactions energy: -20.589
where: short stacking energy: -20.589
Base-Backbone interact. energy: -0.087
local terms energy: -56.219254
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -234.796844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.796844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.796844 (E_RNA)
where:
Base-Base interactions energy: -156.229
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.015
local terms energy: -78.553490
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -217.777682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.777682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.777682 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -63.690
Base-Backbone interact. energy: -0.455
local terms energy: -80.330474
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -218.452384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.452384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452384 (E_RNA)
where:
Base-Base interactions energy: -143.824
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.130
local terms energy: -74.498374
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -20.702
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: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -226.217181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.217181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.217181 (E_RNA)
where:
Base-Base interactions energy: -151.174
where: short stacking energy: -71.165
Base-Backbone interact. energy: -0.002
local terms energy: -75.040295
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -14.237
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: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -202.435264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.435264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.435264 (E_RNA)
where:
Base-Base interactions energy: -134.426
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.152
local terms energy: -67.857232
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -196.325313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.325313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.325313 (E_RNA)
where:
Base-Base interactions energy: -125.836
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.004
local terms energy: -70.485073
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.122
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: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -115.162362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.162362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.162362 (E_RNA)
where:
Base-Base interactions energy: -63.224
where: short stacking energy: -37.378
Base-Backbone interact. energy: -0.023
local terms energy: -51.915588
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.487
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: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -82.989588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.989588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.989588 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -29.157
Base-Backbone interact. energy: -0.120
local terms energy: -47.136504
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: 4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -91.849627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.849627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.849627 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -32.374
Base-Backbone interact. energy: -0.323
local terms energy: -58.499167
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -82.124653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.124653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.124653 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.122
local terms energy: -47.819728
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -7.440
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -1.704
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: 136
Temperature: 0.900000
Total energy: -228.211818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.211818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.211818 (E_RNA)
where:
Base-Base interactions energy: -156.077
where: short stacking energy: -72.914
Base-Backbone interact. energy: -0.004
local terms energy: -72.130829
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -219.454321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454321 (E_RNA)
where:
Base-Base interactions energy: -140.181
where: short stacking energy: -71.413
Base-Backbone interact. energy: -0.019
local terms energy: -79.254057
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -23.281
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: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -226.390595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.390595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.390595 (E_RNA)
where:
Base-Base interactions energy: -146.948
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.053
local terms energy: -79.388716
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -23.189
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: 136
Temperature: 1.050000
Total energy: -189.664481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.664481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.664481 (E_RNA)
where:
Base-Base interactions energy: -122.501
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.686
local terms energy: -66.477479
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -188.171511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.171511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.171511 (E_RNA)
where:
Base-Base interactions energy: -120.171
where: short stacking energy: -50.583
Base-Backbone interact. energy: -0.171
local terms energy: -67.829658
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -188.093973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.093973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.093973 (E_RNA)
where:
Base-Base interactions energy: -124.153
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.184
local terms energy: -63.756838
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -9.933
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: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -110.926498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.926498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.926498 (E_RNA)
where:
Base-Base interactions energy: -59.451
where: short stacking energy: -37.629
Base-Backbone interact. energy: -0.211
local terms energy: -51.264895
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -88.134536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134536 (E_RNA)
where:
Base-Base interactions energy: -38.907
where: short stacking energy: -39.207
Base-Backbone interact. energy: -0.024
local terms energy: -49.203423
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -78.533706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.533706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.533706 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.094
local terms energy: -47.729430
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -76.615370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.615370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.615370 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.277
local terms energy: -41.809089
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -226.630409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.630409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.630409 (E_RNA)
where:
Base-Base interactions energy: -145.244
where: short stacking energy: -75.398
Base-Backbone interact. energy: -0.001
local terms energy: -81.385353
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -19.726
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: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -231.426641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.426641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.426641 (E_RNA)
where:
Base-Base interactions energy: -153.490
where: short stacking energy: -72.233
Base-Backbone interact. energy: -0.164
local terms energy: -77.773300
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -212.903730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.903730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.903730 (E_RNA)
where:
Base-Base interactions energy: -133.473
where: short stacking energy: -67.988
Base-Backbone interact. energy: 0.143
local terms energy: -79.573973
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -219.682915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.682915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.682915 (E_RNA)
where:
Base-Base interactions energy: -146.277
where: short stacking energy: -71.760
Base-Backbone interact. energy: -0.085
local terms energy: -73.320995
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -189.233927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.233927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.233927 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.134
local terms energy: -74.855898
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -189.564916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.564916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.564916 (E_RNA)
where:
Base-Base interactions energy: -117.925
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.070
local terms energy: -71.569265
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -93.775277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.775277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.775277 (E_RNA)
where:
Base-Base interactions energy: -35.409
where: short stacking energy: -33.383
Base-Backbone interact. energy: -0.050
local terms energy: -58.316551
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -79.365006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.365006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.365006 (E_RNA)
where:
Base-Base interactions energy: -26.613
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.125
local terms energy: -52.627026
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.211
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: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -85.763181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.763181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.763181 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -29.185
Base-Backbone interact. energy: -0.051
local terms energy: -50.326005
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -6.336
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: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -74.532338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.532338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.532338 (E_RNA)
where:
Base-Base interactions energy: -22.189
where: short stacking energy: -22.189
Base-Backbone interact. energy: -0.007
local terms energy: -52.337252
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -3.495
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: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -235.171999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.171999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.171999 (E_RNA)
where:
Base-Base interactions energy: -155.626
where: short stacking energy: -74.665
Base-Backbone interact. energy: -0.002
local terms energy: -79.544445
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -229.358058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.358058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.358058 (E_RNA)
where:
Base-Base interactions energy: -149.361
where: short stacking energy: -73.911
Base-Backbone interact. energy: -0.002
local terms energy: -79.994834
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -10.433
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: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -227.733497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.733497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.733497 (E_RNA)
where:
Base-Base interactions energy: -154.595
where: short stacking energy: -68.672
Base-Backbone interact. energy: -0.112
local terms energy: -73.026530
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -205.838643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.838643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.838643 (E_RNA)
where:
Base-Base interactions energy: -132.404
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.348
local terms energy: -73.086135
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -9.669
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: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -199.193922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.193922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.193922 (E_RNA)
where:
Base-Base interactions energy: -129.897
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.071
local terms energy: -69.225219
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -16.518
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: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -199.818834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.818834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.818834 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -69.055
Base-Backbone interact. energy: 1.201
local terms energy: -60.248730
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -88.169428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.169428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.169428 (E_RNA)
where:
Base-Base interactions energy: -36.690
where: short stacking energy: -30.457
Base-Backbone interact. energy: 1.094
local terms energy: -52.573180
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -7.686
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: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -117.068015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.068015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.068015 (E_RNA)
where:
Base-Base interactions energy: -60.634
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.271
local terms energy: -56.162252
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -11.090
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: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -80.697809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.697809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.697809 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -29.053
Base-Backbone interact. energy: -0.116
local terms energy: -51.528950
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -78.443522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.443522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.443522 (E_RNA)
where:
Base-Base interactions energy: -34.738
where: short stacking energy: -26.336
Base-Backbone interact. energy: -0.877
local terms energy: -42.828784
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -2.128
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -231.338451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.338451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.338451 (E_RNA)
where:
Base-Base interactions energy: -149.735
where: short stacking energy: -66.799
Base-Backbone interact. energy: -0.001
local terms energy: -81.601989
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -224.630927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630927 (E_RNA)
where:
Base-Base interactions energy: -149.969
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.030
local terms energy: -74.632128
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -19.813
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: 139
Temperature: 1.000000
Total energy: -206.936836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.936836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.936836 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.070
local terms energy: -70.044588
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -199.087978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.087978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.087978 (E_RNA)
where:
Base-Base interactions energy: -133.521
where: short stacking energy: -60.946
Base-Backbone interact. energy: -0.121
local terms energy: -65.445429
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -183.492223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.492223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.492223 (E_RNA)
where:
Base-Base interactions energy: -121.354
where: short stacking energy: -53.086
Base-Backbone interact. energy: -0.160
local terms energy: -61.977760
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -11.918
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: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -208.367635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.367635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.367635 (E_RNA)
where:
Base-Base interactions energy: -134.612
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.072
local terms energy: -73.683364
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -18.527
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -88.854377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.854377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.854377 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -21.515
Base-Backbone interact. energy: -0.217
local terms energy: -55.533126
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -101.019310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.019310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.019310 (E_RNA)
where:
Base-Base interactions energy: -50.806
where: short stacking energy: -29.293
Base-Backbone interact. energy: -0.016
local terms energy: -50.197317
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -7.699
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: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -82.919781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.919781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.919781 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.089
local terms energy: -49.487832
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -74.374049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.374049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.374049 (E_RNA)
where:
Base-Base interactions energy: -37.327
where: short stacking energy: -25.808
Base-Backbone interact. energy: 1.693
local terms energy: -38.740351
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -2.760
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: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -233.846975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.846975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.846975 (E_RNA)
where:
Base-Base interactions energy: -154.806
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.002
local terms energy: -79.039304
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -228.902791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.902791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.902791 (E_RNA)
where:
Base-Base interactions energy: -150.549
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.001
local terms energy: -78.352471
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -202.824847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.824847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.824847 (E_RNA)
where:
Base-Base interactions energy: -131.711
where: short stacking energy: -58.598
Base-Backbone interact. energy: -0.105
local terms energy: -71.008965
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -197.623890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.623890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.623890 (E_RNA)
where:
Base-Base interactions energy: -126.960
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.354
local terms energy: -70.310271
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -14.836
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: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -191.577346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.577346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.577346 (E_RNA)
where:
Base-Base interactions energy: -127.341
where: short stacking energy: -56.899
Base-Backbone interact. energy: -0.193
local terms energy: -64.043155
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -13.121
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: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -162.676834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.676834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.676834 (E_RNA)
where:
Base-Base interactions energy: -109.150
where: short stacking energy: -48.736
Base-Backbone interact. energy: -0.578
local terms energy: -52.949183
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -8.354
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: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -89.060372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.060372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.060372 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.180
local terms energy: -50.859774
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -83.359515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.359515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.359515 (E_RNA)
where:
Base-Base interactions energy: -33.685
where: short stacking energy: -32.909
Base-Backbone interact. energy: 1.774
local terms energy: -51.449151
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -125.918374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.918374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.918374 (E_RNA)
where:
Base-Base interactions energy: -71.871
where: short stacking energy: -34.646
Base-Backbone interact. energy: 0.839
local terms energy: -54.886607
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -76.031916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.031916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.031916 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -13.754
Base-Backbone interact. energy: -0.727
local terms energy: -44.240872
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: 1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -233.576165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.576165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.576165 (E_RNA)
where:
Base-Base interactions energy: -156.424
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.001
local terms energy: -77.151956
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -20.361
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: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -229.113840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.113840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.113840 (E_RNA)
where:
Base-Base interactions energy: -150.814
where: short stacking energy: -68.132
Base-Backbone interact. energy: -0.001
local terms energy: -78.298757
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -215.193816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.193816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.193816 (E_RNA)
where:
Base-Base interactions energy: -136.543
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.057
local terms energy: -78.594061
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -19.906
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: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -187.864978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.864978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.864978 (E_RNA)
where:
Base-Base interactions energy: -119.519
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.654
local terms energy: -67.691316
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -189.910948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.910948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.910948 (E_RNA)
where:
Base-Base interactions energy: -119.867
where: short stacking energy: -54.233
Base-Backbone interact. energy: -0.219
local terms energy: -69.824913
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -13.923
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: 141
Temperature: 1.150000
Total energy: -196.282437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.282437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.282437 (E_RNA)
where:
Base-Base interactions energy: -125.459
where: short stacking energy: -57.893
Base-Backbone interact. energy: -0.057
local terms energy: -70.766892
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -99.409183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.409183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.409183 (E_RNA)
where:
Base-Base interactions energy: -50.921
where: short stacking energy: -31.705
Base-Backbone interact. energy: 0.754
local terms energy: -49.242085
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -1.577
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: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -84.080937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.080937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.080937 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -31.513
Base-Backbone interact. energy: -0.137
local terms energy: -50.097686
where:
bonds (distance) C4'-P energy: -8.262
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -90.457232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.457232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.457232 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -16.873
Base-Backbone interact. energy: -0.194
local terms energy: -52.572065
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -73.071861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.071861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.071861 (E_RNA)
where:
Base-Base interactions energy: -34.231
where: short stacking energy: -22.322
Base-Backbone interact. energy: -0.069
local terms energy: -38.771216
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -237.339758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.339758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.339758 (E_RNA)
where:
Base-Base interactions energy: -158.194
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.001
local terms energy: -79.144698
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -220.314068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.314068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.314068 (E_RNA)
where:
Base-Base interactions energy: -150.541
where: short stacking energy: -70.110
Base-Backbone interact. energy: -0.302
local terms energy: -69.471208
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -12.140
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: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -208.356211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.356211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.356211 (E_RNA)
where:
Base-Base interactions energy: -133.883
where: short stacking energy: -73.808
Base-Backbone interact. energy: -0.001
local terms energy: -74.472050
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -19.589
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: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -215.837650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.837650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.837650 (E_RNA)
where:
Base-Base interactions energy: -148.218
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.002
local terms energy: -67.618410
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -208.261470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.261470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.261470 (E_RNA)
where:
Base-Base interactions energy: -136.866
where: short stacking energy: -62.884
Base-Backbone interact. energy: 0.057
local terms energy: -71.452206
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -11.974
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: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -183.423149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.423149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.423149 (E_RNA)
where:
Base-Base interactions energy: -109.424
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.182
local terms energy: -73.816681
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -92.092013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092013 (E_RNA)
where:
Base-Base interactions energy: -33.100
where: short stacking energy: -31.704
Base-Backbone interact. energy: -0.162
local terms energy: -58.829460
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -95.070000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.070000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.070000 (E_RNA)
where:
Base-Base interactions energy: -45.652
where: short stacking energy: -32.363
Base-Backbone interact. energy: -0.159
local terms energy: -49.259452
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -8.273
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: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -93.744209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.744209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.744209 (E_RNA)
where:
Base-Base interactions energy: -42.814
where: short stacking energy: -25.677
Base-Backbone interact. energy: -1.125
local terms energy: -49.805261
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -0.993
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -74.371653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.371653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.371653 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -29.448
Base-Backbone interact. energy: -0.387
local terms energy: -40.020692
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -242.256787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.256787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.256787 (E_RNA)
where:
Base-Base interactions energy: -166.105
where: short stacking energy: -77.336
Base-Backbone interact. energy: -0.000
local terms energy: -76.151947
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -216.468513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.468513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468513 (E_RNA)
where:
Base-Base interactions energy: -134.933
where: short stacking energy: -67.575
Base-Backbone interact. energy: -0.020
local terms energy: -81.515236
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -221.301969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.301969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.301969 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.158
local terms energy: -69.616074
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -194.149125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.149125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.149125 (E_RNA)
where:
Base-Base interactions energy: -124.322
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.009
local terms energy: -69.817975
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -7.833
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: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -207.013720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.013720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.013720 (E_RNA)
where:
Base-Base interactions energy: -138.803
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.079
local terms energy: -68.132433
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -19.796
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: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -195.624033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.624033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.624033 (E_RNA)
where:
Base-Base interactions energy: -124.592
where: short stacking energy: -57.893
Base-Backbone interact. energy: -0.002
local terms energy: -71.030095
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -114.214160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.214160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.214160 (E_RNA)
where:
Base-Base interactions energy: -57.173
where: short stacking energy: -32.709
Base-Backbone interact. energy: 0.149
local terms energy: -57.190754
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -77.411725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.411725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.411725 (E_RNA)
where:
Base-Base interactions energy: -34.659
where: short stacking energy: -34.659
Base-Backbone interact. energy: -0.032
local terms energy: -42.720647
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -9.028
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -90.664637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.664637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.664637 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -27.471
Base-Backbone interact. energy: 0.961
local terms energy: -55.053657
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -78.826821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.826821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.826821 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.127
local terms energy: -44.171064
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: 0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -237.788443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.788443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.788443 (E_RNA)
where:
Base-Base interactions energy: -161.199
where: short stacking energy: -74.514
Base-Backbone interact. energy: -0.000
local terms energy: -76.589189
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -212.935803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.935803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.935803 (E_RNA)
where:
Base-Base interactions energy: -143.460
where: short stacking energy: -73.156
Base-Backbone interact. energy: -0.002
local terms energy: -69.474300
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -228.844481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.844481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.844481 (E_RNA)
where:
Base-Base interactions energy: -158.702
where: short stacking energy: -72.323
Base-Backbone interact. energy: -0.057
local terms energy: -70.085858
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -8.318
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: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -201.438648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.438648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.438648 (E_RNA)
where:
Base-Base interactions energy: -130.756
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.009
local terms energy: -70.674153
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -16.848
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: 144
Temperature: 1.100000
Total energy: -195.258609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.258609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.258609 (E_RNA)
where:
Base-Base interactions energy: -133.295
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.227
local terms energy: -61.736388
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -173.418640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.418640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.418640 (E_RNA)
where:
Base-Base interactions energy: -113.611
where: short stacking energy: -51.752
Base-Backbone interact. energy: -0.011
local terms energy: -59.796719
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -88.809296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.809296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.809296 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -27.799
Base-Backbone interact. energy: -0.331
local terms energy: -54.087796
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -5.774
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -132.176351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.176351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.176351 (E_RNA)
where:
Base-Base interactions energy: -70.376
where: short stacking energy: -45.132
Base-Backbone interact. energy: -0.050
local terms energy: -61.749605
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -77.513508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513508 (E_RNA)
where:
Base-Base interactions energy: -24.154
where: short stacking energy: -22.041
Base-Backbone interact. energy: 0.055
local terms energy: -53.414380
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -73.807215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.807215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.807215 (E_RNA)
where:
Base-Base interactions energy: -24.845
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.404
local terms energy: -48.558407
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -2.142
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: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -237.862196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.862196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.862196 (E_RNA)
where:
Base-Base interactions energy: -167.418
where: short stacking energy: -73.999
Base-Backbone interact. energy: -0.001
local terms energy: -70.444003
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -227.694645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.694645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.694645 (E_RNA)
where:
Base-Base interactions energy: -155.447
where: short stacking energy: -67.618
Base-Backbone interact. energy: -1.099
local terms energy: -71.148677
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -204.316792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.316792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.316792 (E_RNA)
where:
Base-Base interactions energy: -130.162
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.041
local terms energy: -74.113691
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -220.453234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.453234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.453234 (E_RNA)
where:
Base-Base interactions energy: -153.394
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.003
local terms energy: -67.057055
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -197.516959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.516959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.516959 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -57.097
Base-Backbone interact. energy: 0.791
local terms energy: -72.893525
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -176.852037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.852037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.852037 (E_RNA)
where:
Base-Base interactions energy: -108.963
where: short stacking energy: -58.851
Base-Backbone interact. energy: -0.108
local terms energy: -67.781112
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -91.821022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.821022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.821022 (E_RNA)
where:
Base-Base interactions energy: -37.090
where: short stacking energy: -37.090
Base-Backbone interact. energy: -0.025
local terms energy: -54.705411
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -123.271641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.271641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.271641 (E_RNA)
where:
Base-Base interactions energy: -65.594
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.135
local terms energy: -57.543032
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -81.620096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.620096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.620096 (E_RNA)
where:
Base-Base interactions energy: -28.139
where: short stacking energy: -20.466
Base-Backbone interact. energy: -0.264
local terms energy: -53.217331
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -75.429739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.429739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.429739 (E_RNA)
where:
Base-Base interactions energy: -25.745
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.059
local terms energy: -49.625651
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -233.935458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.935458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.935458 (E_RNA)
where:
Base-Base interactions energy: -154.482
where: short stacking energy: -75.781
Base-Backbone interact. energy: -0.092
local terms energy: -79.361816
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -232.312785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.312785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.312785 (E_RNA)
where:
Base-Base interactions energy: -154.349
where: short stacking energy: -75.239
Base-Backbone interact. energy: 0.331
local terms energy: -78.295354
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -208.005507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.005507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.005507 (E_RNA)
where:
Base-Base interactions energy: -142.510
where: short stacking energy: -69.579
Base-Backbone interact. energy: -0.004
local terms energy: -65.492118
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -10.436
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: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -209.313023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.313023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.313023 (E_RNA)
where:
Base-Base interactions energy: -135.643
where: short stacking energy: -63.701
Base-Backbone interact. energy: -0.757
local terms energy: -72.912983
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -183.223582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.223582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.223582 (E_RNA)
where:
Base-Base interactions energy: -110.147
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.072
local terms energy: -73.005127
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -164.732336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.732336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.732336 (E_RNA)
where:
Base-Base interactions energy: -107.206
where: short stacking energy: -50.804
Base-Backbone interact. energy: 0.046
local terms energy: -57.572681
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -120.187181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.187181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.187181 (E_RNA)
where:
Base-Base interactions energy: -71.633
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.288
local terms energy: -48.266742
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -93.339274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.339274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.339274 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.095
local terms energy: -56.270890
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -82.667509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.667509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.667509 (E_RNA)
where:
Base-Base interactions energy: -36.283
where: short stacking energy: -27.326
Base-Backbone interact. energy: -0.095
local terms energy: -46.290275
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -7.754
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -83.656460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.656460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.656460 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -17.621
Base-Backbone interact. energy: 1.643
local terms energy: -51.179044
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: 1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -235.109616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.109616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.109616 (E_RNA)
where:
Base-Base interactions energy: -156.561
where: short stacking energy: -70.619
Base-Backbone interact. energy: -0.060
local terms energy: -78.488083
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -222.041006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.041006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.041006 (E_RNA)
where:
Base-Base interactions energy: -148.262
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.596
local terms energy: -73.182288
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -216.760294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.760294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.760294 (E_RNA)
where:
Base-Base interactions energy: -142.468
where: short stacking energy: -63.630
Base-Backbone interact. energy: 1.333
local terms energy: -75.625556
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -18.026
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: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -201.866049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.866049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.866049 (E_RNA)
where:
Base-Base interactions energy: -132.785
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.049
local terms energy: -69.032100
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -9.230
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: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -184.772811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.772811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.772811 (E_RNA)
where:
Base-Base interactions energy: -112.064
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.247
local terms energy: -72.462181
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -178.103583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.103583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.103583 (E_RNA)
where:
Base-Base interactions energy: -118.728
where: short stacking energy: -58.605
Base-Backbone interact. energy: 0.372
local terms energy: -59.746841
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.095
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: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -128.518176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.518176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.518176 (E_RNA)
where:
Base-Base interactions energy: -63.087
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.476
local terms energy: -64.955932
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -9.995
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: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -90.389163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.389163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.389163 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -37.257
Base-Backbone interact. energy: -0.081
local terms energy: -51.802821
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -11.697
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: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -74.954749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.954749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.954749 (E_RNA)
where:
Base-Base interactions energy: -19.956
where: short stacking energy: -19.956
Base-Backbone interact. energy: -0.156
local terms energy: -54.842040
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -74.336186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.336186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.336186 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.046
local terms energy: -43.595853
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -230.815986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.815986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.815986 (E_RNA)
where:
Base-Base interactions energy: -155.040
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.418
local terms energy: -75.357997
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -230.838547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.838547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.838547 (E_RNA)
where:
Base-Base interactions energy: -152.648
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.003
local terms energy: -78.187352
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -19.518
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: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -201.985342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.985342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.985342 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.908
local terms energy: -68.550910
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -6.633
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: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -220.133813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.133813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.133813 (E_RNA)
where:
Base-Base interactions energy: -146.375
where: short stacking energy: -71.911
Base-Backbone interact. energy: -0.003
local terms energy: -73.755513
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -201.818523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.818523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.818523 (E_RNA)
where:
Base-Base interactions energy: -128.100
where: short stacking energy: -66.693
Base-Backbone interact. energy: -0.033
local terms energy: -73.686379
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -191.633998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.633998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.633998 (E_RNA)
where:
Base-Base interactions energy: -128.016
where: short stacking energy: -61.488
Base-Backbone interact. energy: -0.014
local terms energy: -63.604599
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -127.884514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.884514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.884514 (E_RNA)
where:
Base-Base interactions energy: -74.864
where: short stacking energy: -39.624
Base-Backbone interact. energy: -0.276
local terms energy: -52.744375
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -0.525
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: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -110.754495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.754495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.754495 (E_RNA)
where:
Base-Base interactions energy: -50.459
where: short stacking energy: -29.248
Base-Backbone interact. energy: -0.111
local terms energy: -60.184600
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -74.912292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.912292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.912292 (E_RNA)
where:
Base-Base interactions energy: -22.482
where: short stacking energy: -21.979
Base-Backbone interact. energy: -0.109
local terms energy: -52.320776
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -85.044792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.044792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.044792 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.095
local terms energy: -49.460882
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -228.769305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.769305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.769305 (E_RNA)
where:
Base-Base interactions energy: -159.621
where: short stacking energy: -72.710
Base-Backbone interact. energy: -0.102
local terms energy: -69.046673
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -243.907903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.907903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.907903 (E_RNA)
where:
Base-Base interactions energy: -161.293
where: short stacking energy: -74.996
Base-Backbone interact. energy: -0.417
local terms energy: -82.197568
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -211.016989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.016989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.016989 (E_RNA)
where:
Base-Base interactions energy: -143.583
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.096
local terms energy: -67.338333
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -217.173224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.173224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.173224 (E_RNA)
where:
Base-Base interactions energy: -144.492
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.001
local terms energy: -72.679863
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.587
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: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -179.756279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.756279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.756279 (E_RNA)
where:
Base-Base interactions energy: -110.717
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.009
local terms energy: -69.030015
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -202.551450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.551450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.551450 (E_RNA)
where:
Base-Base interactions energy: -130.423
where: short stacking energy: -62.206
Base-Backbone interact. energy: 0.217
local terms energy: -72.345620
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -18.194
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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -146.283434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.283434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.283434 (E_RNA)
where:
Base-Base interactions energy: -85.811
where: short stacking energy: -46.830
Base-Backbone interact. energy: -0.610
local terms energy: -59.862057
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.287
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: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -107.072090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.072090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.072090 (E_RNA)
where:
Base-Base interactions energy: -54.274
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.130
local terms energy: -52.668450
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -85.786490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.786490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.786490 (E_RNA)
where:
Base-Base interactions energy: -36.391
where: short stacking energy: -30.379
Base-Backbone interact. energy: -0.689
local terms energy: -48.707270
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -8.192
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -73.844925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.844925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.844925 (E_RNA)
where:
Base-Base interactions energy: -27.440
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.154
local terms energy: -46.250919
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -7.047
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: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -239.573924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.573924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.573924 (E_RNA)
where:
Base-Base interactions energy: -162.079
where: short stacking energy: -75.279
Base-Backbone interact. energy: -0.730
local terms energy: -76.764908
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -232.908992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.908992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.908992 (E_RNA)
where:
Base-Base interactions energy: -159.634
where: short stacking energy: -71.021
Base-Backbone interact. energy: -0.156
local terms energy: -73.119398
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -212.332761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.332761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.332761 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.076
local terms energy: -78.551165
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -215.423017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.423017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.423017 (E_RNA)
where:
Base-Base interactions energy: -140.149
where: short stacking energy: -72.871
Base-Backbone interact. energy: -0.200
local terms energy: -75.074440
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -209.131970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.131970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.131970 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -65.240
Base-Backbone interact. energy: -0.027
local terms energy: -76.357984
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -175.026418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.026418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.026418 (E_RNA)
where:
Base-Base interactions energy: -105.806
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.042
local terms energy: -69.178449
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -119.527082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.527082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.527082 (E_RNA)
where:
Base-Base interactions energy: -70.742
where: short stacking energy: -44.295
Base-Backbone interact. energy: -0.125
local terms energy: -48.660655
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -5.693
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -111.711073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.711073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.711073 (E_RNA)
where:
Base-Base interactions energy: -71.231
where: short stacking energy: -35.326
Base-Backbone interact. energy: -0.631
local terms energy: -39.849271
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -6.047
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -77.291890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.291890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.291890 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -13.969
Base-Backbone interact. energy: -0.205
local terms energy: -50.031312
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -71.359343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.359343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.359343 (E_RNA)
where:
Base-Base interactions energy: -24.713
where: short stacking energy: -24.713
Base-Backbone interact. energy: -0.087
local terms energy: -46.559602
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -1.276
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: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -234.383925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.383925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.383925 (E_RNA)
where:
Base-Base interactions energy: -160.992
where: short stacking energy: -78.121
Base-Backbone interact. energy: -0.118
local terms energy: -73.273164
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -20.889
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: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -234.323629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.323629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.323629 (E_RNA)
where:
Base-Base interactions energy: -159.131
where: short stacking energy: -78.161
Base-Backbone interact. energy: -0.017
local terms energy: -75.175663
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -213.601083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.601083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.601083 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.002
local terms energy: -77.993563
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -224.889478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.889478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.889478 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.095
local terms energy: -66.487339
where:
bonds (distance) C4'-P energy: -5.983
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -199.128975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.128975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.128975 (E_RNA)
where:
Base-Base interactions energy: -125.013
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.018
local terms energy: -74.098044
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.293
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: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -172.790542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.790542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.790542 (E_RNA)
where:
Base-Base interactions energy: -102.039
where: short stacking energy: -49.682
Base-Backbone interact. energy: -0.416
local terms energy: -70.335830
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -94.018749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.018749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.018749 (E_RNA)
where:
Base-Base interactions energy: -46.246
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.222
local terms energy: -47.551091
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -6.001
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: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -93.168904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.168904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.168904 (E_RNA)
where:
Base-Base interactions energy: -47.618
where: short stacking energy: -27.633
Base-Backbone interact. energy: 0.330
local terms energy: -45.880630
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -84.784744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.784744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.784744 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -18.969
Base-Backbone interact. energy: -1.051
local terms energy: -47.743845
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -6.850
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: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -76.484764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.484764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.484764 (E_RNA)
where:
Base-Base interactions energy: -23.444
where: short stacking energy: -22.735
Base-Backbone interact. energy: -0.116
local terms energy: -52.924535
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -10.777
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: 152
Temperature: 0.900000
Total energy: -237.610664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.610664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.610664 (E_RNA)
where:
Base-Base interactions energy: -164.419
where: short stacking energy: -74.491
Base-Backbone interact. energy: -0.029
local terms energy: -73.162355
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -239.389772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.389772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.389772 (E_RNA)
where:
Base-Base interactions energy: -155.222
where: short stacking energy: -74.297
Base-Backbone interact. energy: -0.001
local terms energy: -84.167338
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -233.932507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.932507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.932507 (E_RNA)
where:
Base-Base interactions energy: -152.497
where: short stacking energy: -74.400
Base-Backbone interact. energy: -0.338
local terms energy: -81.098132
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -206.362241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.362241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.362241 (E_RNA)
where:
Base-Base interactions energy: -137.265
where: short stacking energy: -71.686
Base-Backbone interact. energy: -0.002
local terms energy: -69.094865
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -201.536196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.536196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.536196 (E_RNA)
where:
Base-Base interactions energy: -132.277
where: short stacking energy: -62.868
Base-Backbone interact. energy: -0.008
local terms energy: -69.250714
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -19.882
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: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -169.335167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.335167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.335167 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -44.932
Base-Backbone interact. energy: -0.088
local terms energy: -62.013790
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -91.492128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.492128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.492128 (E_RNA)
where:
Base-Base interactions energy: -34.762
where: short stacking energy: -34.206
Base-Backbone interact. energy: -0.060
local terms energy: -56.670902
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -95.739452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.739452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.739452 (E_RNA)
where:
Base-Base interactions energy: -49.118
where: short stacking energy: -21.916
Base-Backbone interact. energy: -0.789
local terms energy: -45.832663
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -73.881218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.881218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.881218 (E_RNA)
where:
Base-Base interactions energy: -35.092
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.492
local terms energy: -38.296733
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -1.588
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: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -79.170708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.170708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.170708 (E_RNA)
where:
Base-Base interactions energy: -24.977
where: short stacking energy: -24.066
Base-Backbone interact. energy: -0.057
local terms energy: -54.136975
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -230.675640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.675640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.675640 (E_RNA)
where:
Base-Base interactions energy: -152.999
where: short stacking energy: -71.387
Base-Backbone interact. energy: -0.043
local terms energy: -77.633687
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -229.263227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.263227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.263227 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -63.279
Base-Backbone interact. energy: -0.045
local terms energy: -85.656229
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -13.332
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: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -219.085727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.085727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.085727 (E_RNA)
where:
Base-Base interactions energy: -151.561
where: short stacking energy: -72.854
Base-Backbone interact. energy: 0.096
local terms energy: -67.620705
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -213.296006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.296006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.296006 (E_RNA)
where:
Base-Base interactions energy: -131.711
where: short stacking energy: -67.401
Base-Backbone interact. energy: -0.290
local terms energy: -81.295419
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -17.347
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: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -180.294533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.294533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.294533 (E_RNA)
where:
Base-Base interactions energy: -118.476
where: short stacking energy: -65.211
Base-Backbone interact. energy: -0.933
local terms energy: -60.884713
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -15.391
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: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -162.474832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.474832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.474832 (E_RNA)
where:
Base-Base interactions energy: -98.326
where: short stacking energy: -46.849
Base-Backbone interact. energy: -0.174
local terms energy: -63.974597
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -4.733
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: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -100.284307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.284307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.284307 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -37.468
Base-Backbone interact. energy: -0.062
local terms energy: -61.660494
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -89.685030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.685030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.685030 (E_RNA)
where:
Base-Base interactions energy: -41.040
where: short stacking energy: -36.748
Base-Backbone interact. energy: -0.231
local terms energy: -48.413748
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -104.272867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.272867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.272867 (E_RNA)
where:
Base-Base interactions energy: -59.084
where: short stacking energy: -34.236
Base-Backbone interact. energy: 1.866
local terms energy: -47.055037
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -5.534
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -74.766259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.766259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.766259 (E_RNA)
where:
Base-Base interactions energy: -32.599
where: short stacking energy: -26.976
Base-Backbone interact. energy: 1.222
local terms energy: -43.389362
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: 2.909
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -231.378189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.378189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.378189 (E_RNA)
where:
Base-Base interactions energy: -154.944
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.055
local terms energy: -76.379083
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -21.091
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: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -230.955696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.955696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.955696 (E_RNA)
where:
Base-Base interactions energy: -154.581
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.074
local terms energy: -76.300881
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -202.189141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.189141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.189141 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.007
local terms energy: -75.476413
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -219.856088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.856088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.856088 (E_RNA)
where:
Base-Base interactions energy: -149.414
where: short stacking energy: -71.182
Base-Backbone interact. energy: -0.001
local terms energy: -70.440592
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -10.383
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: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -187.023760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.023760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.023760 (E_RNA)
where:
Base-Base interactions energy: -121.439
where: short stacking energy: -52.100
Base-Backbone interact. energy: 0.610
local terms energy: -66.194574
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -196.016735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.016735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.016735 (E_RNA)
where:
Base-Base interactions energy: -123.266
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.062
local terms energy: -72.688763
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -93.400406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.400406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.400406 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -36.125
Base-Backbone interact. energy: -0.112
local terms energy: -57.162912
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -8.711
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: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -90.436734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.436734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.436734 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -25.377
Base-Backbone interact. energy: -0.660
local terms energy: -54.912726
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -84.407586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.407586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.407586 (E_RNA)
where:
Base-Base interactions energy: -27.312
where: short stacking energy: -27.312
Base-Backbone interact. energy: 0.141
local terms energy: -57.236119
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -76.405024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405024 (E_RNA)
where:
Base-Base interactions energy: -29.377
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.328
local terms energy: -46.700217
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -0.345
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: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -233.640954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.640954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.640954 (E_RNA)
where:
Base-Base interactions energy: -156.788
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.000
local terms energy: -76.852565
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -225.136709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.136709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.136709 (E_RNA)
where:
Base-Base interactions energy: -147.822
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.306
local terms energy: -77.008731
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -215.951699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.951699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.951699 (E_RNA)
where:
Base-Base interactions energy: -143.107
where: short stacking energy: -73.045
Base-Backbone interact. energy: -0.000
local terms energy: -72.844824
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.973
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: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -225.824773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.824773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.824773 (E_RNA)
where:
Base-Base interactions energy: -155.007
where: short stacking energy: -69.765
Base-Backbone interact. energy: -0.005
local terms energy: -70.813179
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -19.816
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: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -195.019527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.019527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.019527 (E_RNA)
where:
Base-Base interactions energy: -122.266
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.228
local terms energy: -72.525142
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -20.636
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: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -171.092259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.092259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.092259 (E_RNA)
where:
Base-Base interactions energy: -107.807
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.033
local terms energy: -63.251657
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -92.589555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.589555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.589555 (E_RNA)
where:
Base-Base interactions energy: -38.916
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.204
local terms energy: -53.468995
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -88.791766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791766 (E_RNA)
where:
Base-Base interactions energy: -39.557
where: short stacking energy: -29.232
Base-Backbone interact. energy: -0.120
local terms energy: -49.114399
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -6.778
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: 155
Temperature: 1.300000
Total energy: -85.110642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.110642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.110642 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -19.873
Base-Backbone interact. energy: -0.106
local terms energy: -48.418601
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -84.908889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.908889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.908889 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.162
local terms energy: -52.024112
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -236.468286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.468286 (E_RNA)
where:
Base-Base interactions energy: -158.714
where: short stacking energy: -77.409
Base-Backbone interact. energy: -0.099
local terms energy: -77.655439
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -232.328115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.328115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.328115 (E_RNA)
where:
Base-Base interactions energy: -155.576
where: short stacking energy: -77.988
Base-Backbone interact. energy: -0.350
local terms energy: -76.401963
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -229.625407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.625407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.625407 (E_RNA)
where:
Base-Base interactions energy: -157.303
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.139
local terms energy: -72.183235
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -209.419232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.419232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.419232 (E_RNA)
where:
Base-Base interactions energy: -134.047
where: short stacking energy: -69.294
Base-Backbone interact. energy: -0.000
local terms energy: -75.371736
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -195.479765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.479765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.479765 (E_RNA)
where:
Base-Base interactions energy: -127.032
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.052
local terms energy: -68.396123
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -188.766852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.766852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.766852 (E_RNA)
where:
Base-Base interactions energy: -127.905
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.007
local terms energy: -60.855478
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -85.800542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800542 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -36.095
Base-Backbone interact. energy: 1.286
local terms energy: -50.991380
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -82.422890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.422890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.422890 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.104
local terms energy: -49.392678
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -73.314201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.314201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.314201 (E_RNA)
where:
Base-Base interactions energy: -25.346
where: short stacking energy: -25.040
Base-Backbone interact. energy: 1.332
local terms energy: -49.301005
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -1.114
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: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -72.367494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.367494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.367494 (E_RNA)
where:
Base-Base interactions energy: -21.753
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.106
local terms energy: -50.508588
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -234.475850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.475850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.475850 (E_RNA)
where:
Base-Base interactions energy: -154.653
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.127
local terms energy: -79.696121
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -234.928433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.928433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.928433 (E_RNA)
where:
Base-Base interactions energy: -158.606
where: short stacking energy: -78.305
Base-Backbone interact. energy: -0.000
local terms energy: -76.322037
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.423
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: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -222.173409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.173409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.173409 (E_RNA)
where:
Base-Base interactions energy: -149.851
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.513
local terms energy: -71.809704
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -212.430035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.430035 (E_RNA)
where:
Base-Base interactions energy: -132.256
where: short stacking energy: -65.559
Base-Backbone interact. energy: -0.003
local terms energy: -80.170930
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -178.227673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.227673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.227673 (E_RNA)
where:
Base-Base interactions energy: -109.924
where: short stacking energy: -54.589
Base-Backbone interact. energy: 0.087
local terms energy: -68.390742
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -19.700
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: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -169.366400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.366400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.366400 (E_RNA)
where:
Base-Base interactions energy: -108.631
where: short stacking energy: -44.051
Base-Backbone interact. energy: 0.385
local terms energy: -61.119826
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -97.725019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.725019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.725019 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -41.027
Base-Backbone interact. energy: -0.016
local terms energy: -56.682546
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -8.908
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: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -96.575913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.575913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.575913 (E_RNA)
where:
Base-Base interactions energy: -39.142
where: short stacking energy: -36.221
Base-Backbone interact. energy: 0.584
local terms energy: -58.017642
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -83.443846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443846 (E_RNA)
where:
Base-Base interactions energy: -34.310
where: short stacking energy: -34.310
Base-Backbone interact. energy: -0.031
local terms energy: -49.103024
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -82.583208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.583208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.583208 (E_RNA)
where:
Base-Base interactions energy: -31.868
where: short stacking energy: -31.868
Base-Backbone interact. energy: -0.040
local terms energy: -50.674388
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -235.808322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.808322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.808322 (E_RNA)
where:
Base-Base interactions energy: -158.775
where: short stacking energy: -70.643
Base-Backbone interact. energy: -0.055
local terms energy: -76.978614
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -213.283736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.283736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.283736 (E_RNA)
where:
Base-Base interactions energy: -135.727
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.635
local terms energy: -76.921396
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -202.294000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.294000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.294000 (E_RNA)
where:
Base-Base interactions energy: -136.343
where: short stacking energy: -61.899
Base-Backbone interact. energy: -0.173
local terms energy: -65.778879
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -207.393622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.393622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.393622 (E_RNA)
where:
Base-Base interactions energy: -138.219
where: short stacking energy: -61.863
Base-Backbone interact. energy: -0.048
local terms energy: -69.126862
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -192.567954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.567954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.567954 (E_RNA)
where:
Base-Base interactions energy: -127.279
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.458
local terms energy: -64.831429
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -17.363
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: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -163.327263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.327263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.327263 (E_RNA)
where:
Base-Base interactions energy: -100.028
where: short stacking energy: -43.121
Base-Backbone interact. energy: -0.588
local terms energy: -62.711217
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -95.782112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.782112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.782112 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -38.214
Base-Backbone interact. energy: 0.509
local terms energy: -48.703538
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -2.079
tors. eta vs tors. theta energy: -9.393
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: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -83.952572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.952572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.952572 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -36.846
Base-Backbone interact. energy: -0.113
local terms energy: -46.859147
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -6.250
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: 158
Temperature: 1.300000
Total energy: -77.117906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.117906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.117906 (E_RNA)
where:
Base-Base interactions energy: -26.793
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.215
local terms energy: -50.109805
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -72.104953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.104953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.104953 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -35.075
Base-Backbone interact. energy: -0.249
local terms energy: -36.780958
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -232.962138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.962138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.962138 (E_RNA)
where:
Base-Base interactions energy: -162.050
where: short stacking energy: -72.007
Base-Backbone interact. energy: -0.119
local terms energy: -70.793201
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -17.085
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: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -219.392642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.392642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.392642 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -71.096
Base-Backbone interact. energy: -0.001
local terms energy: -73.753578
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -218.668993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.668993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.668993 (E_RNA)
where:
Base-Base interactions energy: -140.808
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.200
local terms energy: -77.661133
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -208.342867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.342867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.342867 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -70.894
Base-Backbone interact. energy: -0.096
local terms energy: -73.245038
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -7.739
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: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -175.152802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.152802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.152802 (E_RNA)
where:
Base-Base interactions energy: -109.507
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.161
local terms energy: -65.484609
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -10.951
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -154.079525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.079525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.079525 (E_RNA)
where:
Base-Base interactions energy: -96.018
where: short stacking energy: -43.666
Base-Backbone interact. energy: -0.070
local terms energy: -57.991460
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -94.672628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.672628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.672628 (E_RNA)
where:
Base-Base interactions energy: -52.066
where: short stacking energy: -31.650
Base-Backbone interact. energy: -0.760
local terms energy: -41.847188
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -8.264
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: -3.758
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: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -89.372272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.372272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.372272 (E_RNA)
where:
Base-Base interactions energy: -44.289
where: short stacking energy: -14.077
Base-Backbone interact. energy: -0.471
local terms energy: -44.612091
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -7.392
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -77.916247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.916247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.916247 (E_RNA)
where:
Base-Base interactions energy: -26.821
where: short stacking energy: -26.821
Base-Backbone interact. energy: -0.157
local terms energy: -50.938217
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -0.560
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: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -77.197314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.197314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.197314 (E_RNA)
where:
Base-Base interactions energy: -25.781
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.358
local terms energy: -51.058295
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -2.245
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: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -228.089306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.089306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.089306 (E_RNA)
where:
Base-Base interactions energy: -142.891
where: short stacking energy: -75.565
Base-Backbone interact. energy: -0.000
local terms energy: -85.198250
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -220.944333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.944333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.944333 (E_RNA)
where:
Base-Base interactions energy: -148.051
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.018
local terms energy: -72.875029
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.613
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: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -209.300232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.300232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.300232 (E_RNA)
where:
Base-Base interactions energy: -139.311
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.018
local terms energy: -69.970911
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -17.968
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: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -209.348074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.348074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.348074 (E_RNA)
where:
Base-Base interactions energy: -131.208
where: short stacking energy: -65.693
Base-Backbone interact. energy: -0.036
local terms energy: -78.104321
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -10.847
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: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -169.114126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.114126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.114126 (E_RNA)
where:
Base-Base interactions energy: -105.229
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.676
local terms energy: -63.209315
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -8.406
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: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -177.720633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.720633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.720633 (E_RNA)
where:
Base-Base interactions energy: -117.547
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.192
local terms energy: -59.982346
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -91.061523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.061523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.061523 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -35.120
Base-Backbone interact. energy: 0.889
local terms energy: -53.811778
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -9.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -107.916649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.916649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.916649 (E_RNA)
where:
Base-Base interactions energy: -59.452
where: short stacking energy: -33.706
Base-Backbone interact. energy: -0.086
local terms energy: -48.379283
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -71.552939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.552939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.552939 (E_RNA)
where:
Base-Base interactions energy: -24.188
where: short stacking energy: -23.648
Base-Backbone interact. energy: 1.509
local terms energy: -48.874460
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -66.353414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.353414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.353414 (E_RNA)
where:
Base-Base interactions energy: -24.263
where: short stacking energy: -24.263
Base-Backbone interact. energy: -0.135
local terms energy: -41.955442
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: 0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -235.719600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.719600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.719600 (E_RNA)
where:
Base-Base interactions energy: -160.152
where: short stacking energy: -76.044
Base-Backbone interact. energy: -0.288
local terms energy: -75.279552
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -24.134
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: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -214.221448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.221448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.221448 (E_RNA)
where:
Base-Base interactions energy: -137.478
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.015
local terms energy: -76.729161
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -215.937471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.937471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.937471 (E_RNA)
where:
Base-Base interactions energy: -142.889
where: short stacking energy: -74.678
Base-Backbone interact. energy: -0.002
local terms energy: -73.046535
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -169.028335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.028335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.028335 (E_RNA)
where:
Base-Base interactions energy: -101.521
where: short stacking energy: -47.331
Base-Backbone interact. energy: -0.056
local terms energy: -67.450944
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -179.362123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.362123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.362123 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -48.122
Base-Backbone interact. energy: -0.001
local terms energy: -65.662515
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -165.515867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.515867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.515867 (E_RNA)
where:
Base-Base interactions energy: -102.218
where: short stacking energy: -36.588
Base-Backbone interact. energy: -1.114
local terms energy: -62.184281
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -10.040
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: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -127.907872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.907872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.907872 (E_RNA)
where:
Base-Base interactions energy: -67.852
where: short stacking energy: -40.146
Base-Backbone interact. energy: -0.009
local terms energy: -60.046122
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -11.895
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: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -93.081674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081674 (E_RNA)
where:
Base-Base interactions energy: -36.734
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.080
local terms energy: -56.268065
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -5.864
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: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -114.978182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.978182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.978182 (E_RNA)
where:
Base-Base interactions energy: -68.553
where: short stacking energy: -36.841
Base-Backbone interact. energy: 0.624
local terms energy: -47.049343
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -2.967
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: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -82.323698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.323698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.323698 (E_RNA)
where:
Base-Base interactions energy: -25.924
where: short stacking energy: -25.924
Base-Backbone interact. energy: -0.222
local terms energy: -56.178237
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -212.091387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.091387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.091387 (E_RNA)
where:
Base-Base interactions energy: -139.605
where: short stacking energy: -71.778
Base-Backbone interact. energy: -0.007
local terms energy: -72.478799
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -11.759
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: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -225.309809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.309809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.309809 (E_RNA)
where:
Base-Base interactions energy: -153.474
where: short stacking energy: -71.567
Base-Backbone interact. energy: -0.240
local terms energy: -71.595551
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.102
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: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -186.128449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.128449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.128449 (E_RNA)
where:
Base-Base interactions energy: -119.158
where: short stacking energy: -44.301
Base-Backbone interact. energy: -0.875
local terms energy: -66.095236
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -219.180789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.180789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.180789 (E_RNA)
where:
Base-Base interactions energy: -147.099
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.020
local terms energy: -72.061815
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -167.754563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.754563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.754563 (E_RNA)
where:
Base-Base interactions energy: -104.456
where: short stacking energy: -45.664
Base-Backbone interact. energy: -0.096
local terms energy: -63.202700
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -184.717269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.717269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.717269 (E_RNA)
where:
Base-Base interactions energy: -114.443
where: short stacking energy: -57.964
Base-Backbone interact. energy: -0.000
local terms energy: -70.274363
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -115.255897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.255897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.255897 (E_RNA)
where:
Base-Base interactions energy: -55.339
where: short stacking energy: -41.906
Base-Backbone interact. energy: -0.236
local terms energy: -59.680824
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -9.489
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: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -90.338042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.338042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.338042 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.178
local terms energy: -51.499458
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -79.687353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.687353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.687353 (E_RNA)
where:
Base-Base interactions energy: -32.465
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.962
local terms energy: -46.260015
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -73.224775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.224775 (E_RNA)
where:
Base-Base interactions energy: -41.080
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.147
local terms energy: -31.997825
where:
bonds (distance) C4'-P energy: -6.813
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -4.957
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -227.714715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.714715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.714715 (E_RNA)
where:
Base-Base interactions energy: -144.856
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.244
local terms energy: -82.614442
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -10.978
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: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -228.053653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.053653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.053653 (E_RNA)
where:
Base-Base interactions energy: -148.842
where: short stacking energy: -70.979
Base-Backbone interact. energy: -0.448
local terms energy: -78.764048
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -23.655
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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -182.629730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.629730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.629730 (E_RNA)
where:
Base-Base interactions energy: -110.056
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.261
local terms energy: -72.312652
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -217.232306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.232306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.232306 (E_RNA)
where:
Base-Base interactions energy: -149.904
where: short stacking energy: -68.198
Base-Backbone interact. energy: 0.924
local terms energy: -68.251696
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -209.589916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.589916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.589916 (E_RNA)
where:
Base-Base interactions energy: -149.144
where: short stacking energy: -67.937
Base-Backbone interact. energy: 0.434
local terms energy: -60.879219
where:
bonds (distance) C4'-P energy: -7.206
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -187.037191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.037191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.037191 (E_RNA)
where:
Base-Base interactions energy: -120.187
where: short stacking energy: -60.821
Base-Backbone interact. energy: -0.001
local terms energy: -66.849235
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -89.907631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.907631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.907631 (E_RNA)
where:
Base-Base interactions energy: -41.381
where: short stacking energy: -25.291
Base-Backbone interact. energy: -0.899
local terms energy: -47.627546
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -0.813
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: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -73.778490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.778490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.778490 (E_RNA)
where:
Base-Base interactions energy: -27.364
where: short stacking energy: -23.184
Base-Backbone interact. energy: -0.213
local terms energy: -46.201549
where:
bonds (distance) C4'-P energy: -7.508
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: 2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -81.440530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.440530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.440530 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -19.950
Base-Backbone interact. energy: 0.906
local terms energy: -45.173649
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -70.169180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.169180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.169180 (E_RNA)
where:
Base-Base interactions energy: -27.010
where: short stacking energy: -21.191
Base-Backbone interact. energy: 0.886
local terms energy: -44.044768
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -0.556
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: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -217.073161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.073161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.073161 (E_RNA)
where:
Base-Base interactions energy: -141.680
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.000
local terms energy: -75.392666
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -11.726
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: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -229.371423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.371423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.371423 (E_RNA)
where:
Base-Base interactions energy: -155.471
where: short stacking energy: -71.388
Base-Backbone interact. energy: 1.157
local terms energy: -75.056939
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -207.912441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.912441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.912441 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.190
local terms energy: -75.236798
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -175.051410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.051410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.051410 (E_RNA)
where:
Base-Base interactions energy: -105.041
where: short stacking energy: -52.675
Base-Backbone interact. energy: -0.277
local terms energy: -69.733484
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.088
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: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -192.393197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.393197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.393197 (E_RNA)
where:
Base-Base interactions energy: -123.456
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.001
local terms energy: -68.935884
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -208.059165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.059165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.059165 (E_RNA)
where:
Base-Base interactions energy: -131.713
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.097
local terms energy: -76.248929
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -92.749419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.749419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.749419 (E_RNA)
where:
Base-Base interactions energy: -42.859
where: short stacking energy: -23.830
Base-Backbone interact. energy: -0.128
local terms energy: -49.762101
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -1.394
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: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -82.627486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.627486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.627486 (E_RNA)
where:
Base-Base interactions energy: -29.925
where: short stacking energy: -25.437
Base-Backbone interact. energy: 1.345
local terms energy: -54.047041
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -79.294757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.294757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.294757 (E_RNA)
where:
Base-Base interactions energy: -37.448
where: short stacking energy: -32.270
Base-Backbone interact. energy: -0.087
local terms energy: -41.760586
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: 1.247
tors. eta vs tors. theta energy: -6.878
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: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -74.657353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.657353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.657353 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -19.432
Base-Backbone interact. energy: -0.164
local terms energy: -44.731836
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -211.692472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.692472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.692472 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -63.878
Base-Backbone interact. energy: -0.995
local terms energy: -78.334734
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -224.377491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.377491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.377491 (E_RNA)
where:
Base-Base interactions energy: -154.055
where: short stacking energy: -70.372
Base-Backbone interact. energy: -0.600
local terms energy: -69.723165
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -223.530079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.530079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.530079 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -66.231
Base-Backbone interact. energy: -0.002
local terms energy: -77.216913
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -20.038
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: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -224.177641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.177641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.177641 (E_RNA)
where:
Base-Base interactions energy: -150.091
where: short stacking energy: -71.437
Base-Backbone interact. energy: -1.340
local terms energy: -72.746920
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -177.206585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.206585 (E_RNA)
where:
Base-Base interactions energy: -102.796
where: short stacking energy: -43.434
Base-Backbone interact. energy: -0.084
local terms energy: -74.326087
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -15.554
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -190.854405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.854405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.854405 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -68.165
Base-Backbone interact. energy: -0.336
local terms energy: -61.801464
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -15.832
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: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -89.311516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.311516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.311516 (E_RNA)
where:
Base-Base interactions energy: -38.318
where: short stacking energy: -27.971
Base-Backbone interact. energy: -0.034
local terms energy: -50.959578
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -7.905
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: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -87.673963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.673963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.673963 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -37.710
Base-Backbone interact. energy: 0.156
local terms energy: -48.752177
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -4.246
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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -86.574346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.574346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.574346 (E_RNA)
where:
Base-Base interactions energy: -44.042
where: short stacking energy: -26.252
Base-Backbone interact. energy: -1.306
local terms energy: -41.226225
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -6.826
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -83.919559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.919559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.919559 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.087
local terms energy: -46.773576
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -5.567
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: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -224.842024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.842024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.842024 (E_RNA)
where:
Base-Base interactions energy: -153.054
where: short stacking energy: -75.792
Base-Backbone interact. energy: -0.020
local terms energy: -71.767636
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -11.188
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: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -221.583959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.583959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.583959 (E_RNA)
where:
Base-Base interactions energy: -151.325
where: short stacking energy: -72.900
Base-Backbone interact. energy: 0.087
local terms energy: -70.345839
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -235.282838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.282838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.282838 (E_RNA)
where:
Base-Base interactions energy: -162.578
where: short stacking energy: -79.194
Base-Backbone interact. energy: -0.205
local terms energy: -72.499738
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -221.332876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.332876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.332876 (E_RNA)
where:
Base-Base interactions energy: -147.844
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.204
local terms energy: -73.284829
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.246
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -224.239859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.239859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.239859 (E_RNA)
where:
Base-Base interactions energy: -145.544
where: short stacking energy: -71.738
Base-Backbone interact. energy: -0.005
local terms energy: -78.690736
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -22.953
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: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -175.380794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.380794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.380794 (E_RNA)
where:
Base-Base interactions energy: -115.867
where: short stacking energy: -51.877
Base-Backbone interact. energy: 2.084
local terms energy: -61.597456
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -105.138652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.138652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.138652 (E_RNA)
where:
Base-Base interactions energy: -52.318
where: short stacking energy: -27.265
Base-Backbone interact. energy: -0.240
local terms energy: -52.580758
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -90.640577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.640577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.640577 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -21.532
Base-Backbone interact. energy: -0.769
local terms energy: -52.221081
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -6.586
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.778
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: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -81.782003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.782003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.782003 (E_RNA)
where:
Base-Base interactions energy: -30.800
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.303
local terms energy: -50.679158
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -73.770366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.770366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.770366 (E_RNA)
where:
Base-Base interactions energy: -33.743
where: short stacking energy: -17.771
Base-Backbone interact. energy: -0.879
local terms energy: -39.147930
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: 3.906
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: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -234.496782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.496782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.496782 (E_RNA)
where:
Base-Base interactions energy: -158.377
where: short stacking energy: -76.659
Base-Backbone interact. energy: -0.016
local terms energy: -76.103352
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -13.541
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: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -209.484554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.484554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.484554 (E_RNA)
where:
Base-Base interactions energy: -128.905
where: short stacking energy: -64.967
Base-Backbone interact. energy: 0.530
local terms energy: -81.109591
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -14.374
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: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -210.842830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.842830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.842830 (E_RNA)
where:
Base-Base interactions energy: -138.312
where: short stacking energy: -64.655
Base-Backbone interact. energy: 1.521
local terms energy: -74.052210
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -207.208448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.208448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.208448 (E_RNA)
where:
Base-Base interactions energy: -131.481
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.187
local terms energy: -75.540025
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -21.767
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: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -216.231491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.231491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.231491 (E_RNA)
where:
Base-Base interactions energy: -146.987
where: short stacking energy: -73.587
Base-Backbone interact. energy: 0.025
local terms energy: -69.269908
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -178.587623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.587623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.587623 (E_RNA)
where:
Base-Base interactions energy: -110.489
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.228
local terms energy: -67.870934
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.929
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: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -94.170626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.170626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.170626 (E_RNA)
where:
Base-Base interactions energy: -41.203
where: short stacking energy: -33.213
Base-Backbone interact. energy: -0.162
local terms energy: -52.806226
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -80.320225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.320225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.320225 (E_RNA)
where:
Base-Base interactions energy: -34.811
where: short stacking energy: -15.890
Base-Backbone interact. energy: -0.727
local terms energy: -44.782194
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -89.188220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.188220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.188220 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -27.966
Base-Backbone interact. energy: -0.201
local terms energy: -60.970180
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -6.351
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: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -72.965679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.965679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.965679 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -22.807
Base-Backbone interact. energy: -0.781
local terms energy: -42.102989
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: 0.388
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: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -241.178435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.178435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.178435 (E_RNA)
where:
Base-Base interactions energy: -159.021
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.042
local terms energy: -82.115723
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -221.293105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.293105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.293105 (E_RNA)
where:
Base-Base interactions energy: -146.707
where: short stacking energy: -76.112
Base-Backbone interact. energy: -0.000
local terms energy: -74.586401
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.661
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: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -229.015438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.015438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.015438 (E_RNA)
where:
Base-Base interactions energy: -156.872
where: short stacking energy: -70.982
Base-Backbone interact. energy: -1.389
local terms energy: -70.754069
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.508
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: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -220.908868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.908868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.908868 (E_RNA)
where:
Base-Base interactions energy: -150.218
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.004
local terms energy: -70.686782
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -22.910
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: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -181.343296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.343296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.343296 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.265
local terms energy: -69.417425
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -162.776236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.776236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.776236 (E_RNA)
where:
Base-Base interactions energy: -95.298
where: short stacking energy: -41.080
Base-Backbone interact. energy: -0.762
local terms energy: -66.715871
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -10.623
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: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -99.382878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.382878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.382878 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -37.434
Base-Backbone interact. energy: -0.446
local terms energy: -58.482149
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -6.499
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: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -88.146715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146715 (E_RNA)
where:
Base-Base interactions energy: -39.575
where: short stacking energy: -23.078
Base-Backbone interact. energy: -0.184
local terms energy: -48.387577
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: 2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -84.829944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829944 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -36.434
Base-Backbone interact. energy: -0.158
local terms energy: -48.237056
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -6.697
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -6.275
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: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -73.537023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.537023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.537023 (E_RNA)
where:
Base-Base interactions energy: -26.189
where: short stacking energy: -18.764
Base-Backbone interact. energy: -0.967
local terms energy: -46.380714
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: 4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -237.331464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.331464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.331464 (E_RNA)
where:
Base-Base interactions energy: -163.645
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.372
local terms energy: -73.314670
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -219.547907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.547907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.547907 (E_RNA)
where:
Base-Base interactions energy: -142.458
where: short stacking energy: -72.442
Base-Backbone interact. energy: -1.595
local terms energy: -75.494239
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -213.847293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.847293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.847293 (E_RNA)
where:
Base-Base interactions energy: -134.590
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.033
local terms energy: -79.224755
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -21.147
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -194.598480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.598480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.598480 (E_RNA)
where:
Base-Base interactions energy: -126.526
where: short stacking energy: -62.654
Base-Backbone interact. energy: -0.000
local terms energy: -68.072731
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -192.720297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.720297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.720297 (E_RNA)
where:
Base-Base interactions energy: -124.733
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.007
local terms energy: -67.980243
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -172.455811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.455811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.455811 (E_RNA)
where:
Base-Base interactions energy: -103.683
where: short stacking energy: -42.561
Base-Backbone interact. energy: -0.469
local terms energy: -68.303711
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.802
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: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -89.501295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.501295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.501295 (E_RNA)
where:
Base-Base interactions energy: -37.056
where: short stacking energy: -35.977
Base-Backbone interact. energy: -0.241
local terms energy: -52.204241
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -6.165
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: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -78.620925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.620925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.620925 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -22.590
Base-Backbone interact. energy: 0.204
local terms energy: -45.511461
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: 2.899
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: 169
Temperature: 1.300000
Total energy: -103.291806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.291806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.291806 (E_RNA)
where:
Base-Base interactions energy: -58.963
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.145
local terms energy: -44.183351
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -4.011
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: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -77.252603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.252603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.252603 (E_RNA)
where:
Base-Base interactions energy: -25.464
where: short stacking energy: -25.464
Base-Backbone interact. energy: -0.119
local terms energy: -51.669286
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -227.747595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747595 (E_RNA)
where:
Base-Base interactions energy: -154.507
where: short stacking energy: -74.232
Base-Backbone interact. energy: 0.206
local terms energy: -73.446565
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -22.300
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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -236.562169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.562169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.562169 (E_RNA)
where:
Base-Base interactions energy: -157.944
where: short stacking energy: -75.753
Base-Backbone interact. energy: -0.575
local terms energy: -78.043384
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -204.799337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799337 (E_RNA)
where:
Base-Base interactions energy: -135.657
where: short stacking energy: -69.228
Base-Backbone interact. energy: 0.259
local terms energy: -69.401969
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -207.403316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.403316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.403316 (E_RNA)
where:
Base-Base interactions energy: -128.705
where: short stacking energy: -69.714
Base-Backbone interact. energy: -0.536
local terms energy: -78.162175
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -7.675
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: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -182.035960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.035960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.035960 (E_RNA)
where:
Base-Base interactions energy: -111.200
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.050
local terms energy: -70.785759
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -12.886
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: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -185.046276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.046276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.046276 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.101
local terms energy: -56.587256
where:
bonds (distance) C4'-P energy: -5.859
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -89.187139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.187139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.187139 (E_RNA)
where:
Base-Base interactions energy: -28.935
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.226
local terms energy: -60.025508
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -9.661
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: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -91.484761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.484761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.484761 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -30.840
Base-Backbone interact. energy: -0.177
local terms energy: -55.887557
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -80.979353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.979353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.979353 (E_RNA)
where:
Base-Base interactions energy: -32.238
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.072
local terms energy: -48.668639
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -106.198448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.198448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.198448 (E_RNA)
where:
Base-Base interactions energy: -67.377
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.593
local terms energy: -38.228414
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -3.420
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: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -235.507455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.507455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.507455 (E_RNA)
where:
Base-Base interactions energy: -157.037
where: short stacking energy: -74.787
Base-Backbone interact. energy: -0.001
local terms energy: -78.468646
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -231.814545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.814545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.814545 (E_RNA)
where:
Base-Base interactions energy: -149.408
where: short stacking energy: -78.132
Base-Backbone interact. energy: -0.156
local terms energy: -82.250845
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -210.737891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.737891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.737891 (E_RNA)
where:
Base-Base interactions energy: -137.089
where: short stacking energy: -56.878
Base-Backbone interact. energy: -0.016
local terms energy: -73.632939
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -200.648891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.648891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.648891 (E_RNA)
where:
Base-Base interactions energy: -131.514
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.082
local terms energy: -69.052054
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -21.099
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: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -202.763512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.763512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.763512 (E_RNA)
where:
Base-Base interactions energy: -133.744
where: short stacking energy: -66.188
Base-Backbone interact. energy: -0.006
local terms energy: -69.013170
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -199.543788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.543788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.543788 (E_RNA)
where:
Base-Base interactions energy: -133.268
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.006
local terms energy: -66.269660
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -112.008052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.008052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.008052 (E_RNA)
where:
Base-Base interactions energy: -60.152
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.000
local terms energy: -51.856174
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -99.082371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.082371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.082371 (E_RNA)
where:
Base-Base interactions energy: -39.809
where: short stacking energy: -25.456
Base-Backbone interact. energy: -0.129
local terms energy: -59.144576
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -7.833
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: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -72.629824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.629824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.629824 (E_RNA)
where:
Base-Base interactions energy: -22.577
where: short stacking energy: -14.475
Base-Backbone interact. energy: -0.461
local terms energy: -49.592159
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.773
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: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -73.119852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.119852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.119852 (E_RNA)
where:
Base-Base interactions energy: -26.617
where: short stacking energy: -26.617
Base-Backbone interact. energy: 1.218
local terms energy: -47.720134
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -7.271
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: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -230.162168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.162168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.162168 (E_RNA)
where:
Base-Base interactions energy: -155.955
where: short stacking energy: -77.539
Base-Backbone interact. energy: -0.003
local terms energy: -74.204661
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -18.565
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: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -231.531787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.531787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.531787 (E_RNA)
where:
Base-Base interactions energy: -153.430
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.004
local terms energy: -78.097705
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -9.043
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: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -224.710592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.710592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.710592 (E_RNA)
where:
Base-Base interactions energy: -148.909
where: short stacking energy: -69.639
Base-Backbone interact. energy: -0.005
local terms energy: -75.796315
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -190.553073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.553073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.553073 (E_RNA)
where:
Base-Base interactions energy: -126.678
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.102
local terms energy: -63.773276
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -227.985536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.985536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.985536 (E_RNA)
where:
Base-Base interactions energy: -147.657
where: short stacking energy: -75.071
Base-Backbone interact. energy: -0.002
local terms energy: -80.326682
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -167.191690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.191690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.191690 (E_RNA)
where:
Base-Base interactions energy: -98.845
where: short stacking energy: -50.124
Base-Backbone interact. energy: -0.973
local terms energy: -67.373606
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -88.534273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.534273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.534273 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.179
local terms energy: -40.318448
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -8.123
flat angles P-C4'-P energy: -1.931
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -81.806958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.806958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.806958 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -20.593
Base-Backbone interact. energy: -0.183
local terms energy: -52.528547
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -96.371805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.371805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.371805 (E_RNA)
where:
Base-Base interactions energy: -44.820
where: short stacking energy: -22.148
Base-Backbone interact. energy: 0.172
local terms energy: -51.724064
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.624
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: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -73.346285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.346285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.346285 (E_RNA)
where:
Base-Base interactions energy: -25.556
where: short stacking energy: -25.556
Base-Backbone interact. energy: -0.477
local terms energy: -47.313606
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -231.920112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.920112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.920112 (E_RNA)
where:
Base-Base interactions energy: -159.301
where: short stacking energy: -77.551
Base-Backbone interact. energy: -0.000
local terms energy: -72.618755
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -18.277
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: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -232.032655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.032655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.032655 (E_RNA)
where:
Base-Base interactions energy: -156.397
where: short stacking energy: -72.943
Base-Backbone interact. energy: -0.011
local terms energy: -75.624969
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -20.196
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: 173
Temperature: 1.000000
Total energy: -237.109014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.109014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.109014 (E_RNA)
where:
Base-Base interactions energy: -164.294
where: short stacking energy: -76.001
Base-Backbone interact. energy: -0.000
local terms energy: -72.814613
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.631
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: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -204.081004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.081004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.081004 (E_RNA)
where:
Base-Base interactions energy: -130.830
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.000
local terms energy: -73.250180
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -18.564
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: 173
Temperature: 1.100000
Total energy: -196.321450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.321450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.321450 (E_RNA)
where:
Base-Base interactions energy: -126.183
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.034
local terms energy: -70.104895
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.080
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -190.830213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.830213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.830213 (E_RNA)
where:
Base-Base interactions energy: -126.368
where: short stacking energy: -62.838
Base-Backbone interact. energy: -0.113
local terms energy: -64.348799
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -92.004076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.004076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.004076 (E_RNA)
where:
Base-Base interactions energy: -40.202
where: short stacking energy: -39.852
Base-Backbone interact. energy: -0.196
local terms energy: -51.606061
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -4.080
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: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -92.317278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.317278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.317278 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -33.738
Base-Backbone interact. energy: -0.120
local terms energy: -56.937747
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -74.830841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.830841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.830841 (E_RNA)
where:
Base-Base interactions energy: -21.090
where: short stacking energy: -21.090
Base-Backbone interact. energy: -0.395
local terms energy: -53.345818
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: 3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -73.059306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.059306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.059306 (E_RNA)
where:
Base-Base interactions energy: -23.409
where: short stacking energy: -23.409
Base-Backbone interact. energy: -0.120
local terms energy: -49.530463
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -224.714298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.714298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.714298 (E_RNA)
where:
Base-Base interactions energy: -151.074
where: short stacking energy: -67.859
Base-Backbone interact. energy: -0.123
local terms energy: -73.516531
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -233.092801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.092801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.092801 (E_RNA)
where:
Base-Base interactions energy: -153.275
where: short stacking energy: -68.543
Base-Backbone interact. energy: -0.404
local terms energy: -79.413589
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -20.274
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: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -209.488555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.488555 (E_RNA)
where:
Base-Base interactions energy: -138.388
where: short stacking energy: -71.843
Base-Backbone interact. energy: -0.012
local terms energy: -71.088180
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.556
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: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -218.118049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.118049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.118049 (E_RNA)
where:
Base-Base interactions energy: -139.587
where: short stacking energy: -70.273
Base-Backbone interact. energy: -0.003
local terms energy: -78.527805
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.477
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: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -191.687653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.687653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.687653 (E_RNA)
where:
Base-Base interactions energy: -123.265
where: short stacking energy: -48.993
Base-Backbone interact. energy: -0.022
local terms energy: -68.400459
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -15.371
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: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -167.429946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.429946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.429946 (E_RNA)
where:
Base-Base interactions energy: -109.368
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.068
local terms energy: -57.993959
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -14.463
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: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -93.250801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.250801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.250801 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -30.297
Base-Backbone interact. energy: -0.210
local terms energy: -51.747774
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -78.950981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.950981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.950981 (E_RNA)
where:
Base-Base interactions energy: -24.693
where: short stacking energy: -24.693
Base-Backbone interact. energy: -0.315
local terms energy: -53.942653
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -7.304
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: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -79.556196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.556196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.556196 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.210
local terms energy: -51.116502
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -72.579330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.579330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.579330 (E_RNA)
where:
Base-Base interactions energy: -21.974
where: short stacking energy: -19.619
Base-Backbone interact. energy: -0.941
local terms energy: -49.664167
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -2.011
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: 175
Temperature: 0.900000
Total energy: -230.154779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.154779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.154779 (E_RNA)
where:
Base-Base interactions energy: -158.913
where: short stacking energy: -66.130
Base-Backbone interact. energy: -0.158
local terms energy: -71.083569
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -207.885207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.885207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.885207 (E_RNA)
where:
Base-Base interactions energy: -131.913
where: short stacking energy: -64.556
Base-Backbone interact. energy: -0.051
local terms energy: -75.921658
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -16.781
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: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -218.535280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.535280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.535280 (E_RNA)
where:
Base-Base interactions energy: -145.672
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.068
local terms energy: -72.795363
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -191.279533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.279533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.279533 (E_RNA)
where:
Base-Base interactions energy: -119.397
where: short stacking energy: -48.544
Base-Backbone interact. energy: -0.152
local terms energy: -71.730299
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -204.828434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.828434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.828434 (E_RNA)
where:
Base-Base interactions energy: -144.461
where: short stacking energy: -68.881
Base-Backbone interact. energy: 0.340
local terms energy: -60.707366
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -5.172
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: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -174.839179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.839179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.839179 (E_RNA)
where:
Base-Base interactions energy: -106.121
where: short stacking energy: -52.050
Base-Backbone interact. energy: -0.106
local terms energy: -68.612829
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -12.044
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: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -100.374311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.374311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.374311 (E_RNA)
where:
Base-Base interactions energy: -49.450
where: short stacking energy: -30.761
Base-Backbone interact. energy: -0.174
local terms energy: -50.750112
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -3.474
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: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -79.927801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.927801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.927801 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -24.391
Base-Backbone interact. energy: -0.152
local terms energy: -46.940751
where:
bonds (distance) C4'-P energy: -4.883
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.277
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -83.925222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.925222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.925222 (E_RNA)
where:
Base-Base interactions energy: -33.110
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.225
local terms energy: -50.589329
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -10.565
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: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -69.840938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.840938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.840938 (E_RNA)
where:
Base-Base interactions energy: -31.645
where: short stacking energy: -28.547
Base-Backbone interact. energy: -0.332
local terms energy: -37.863798
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -230.542784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.542784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.542784 (E_RNA)
where:
Base-Base interactions energy: -156.339
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.570
local terms energy: -73.634313
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -217.263267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.263267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.263267 (E_RNA)
where:
Base-Base interactions energy: -139.383
where: short stacking energy: -76.104
Base-Backbone interact. energy: -0.001
local terms energy: -77.879130
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -216.394821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.394821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.394821 (E_RNA)
where:
Base-Base interactions energy: -147.816
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.004
local terms energy: -68.574309
where:
bonds (distance) C4'-P energy: -7.777
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -210.461916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.461916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.461916 (E_RNA)
where:
Base-Base interactions energy: -138.532
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.089
local terms energy: -71.841158
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -200.919654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.919654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.919654 (E_RNA)
where:
Base-Base interactions energy: -131.512
where: short stacking energy: -62.512
Base-Backbone interact. energy: 0.204
local terms energy: -69.612094
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -184.349690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.349690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.349690 (E_RNA)
where:
Base-Base interactions energy: -116.074
where: short stacking energy: -56.204
Base-Backbone interact. energy: -0.011
local terms energy: -68.264844
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -79.738788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.738788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.738788 (E_RNA)
where:
Base-Base interactions energy: -31.641
where: short stacking energy: -31.641
Base-Backbone interact. energy: -0.651
local terms energy: -47.447050
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -80.944631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.944631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.944631 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -24.432
Base-Backbone interact. energy: 0.284
local terms energy: -40.485412
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -7.303
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: 5.004
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: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -73.317625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.317625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.317625 (E_RNA)
where:
Base-Base interactions energy: -28.510
where: short stacking energy: -24.144
Base-Backbone interact. energy: 1.032
local terms energy: -45.839535
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -71.583834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.583834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.583834 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -11.987
Base-Backbone interact. energy: 0.040
local terms energy: -38.674051
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: 4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -227.284864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.284864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.284864 (E_RNA)
where:
Base-Base interactions energy: -148.952
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.207
local terms energy: -78.124925
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -228.472224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.472224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.472224 (E_RNA)
where:
Base-Base interactions energy: -159.454
where: short stacking energy: -71.149
Base-Backbone interact. energy: -0.167
local terms energy: -68.850742
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -213.102446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.102446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.102446 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -72.894
Base-Backbone interact. energy: -0.271
local terms energy: -70.868921
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -20.177
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: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -223.806499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.806499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.806499 (E_RNA)
where:
Base-Base interactions energy: -149.386
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.044
local terms energy: -74.376069
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -191.262865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.262865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.262865 (E_RNA)
where:
Base-Base interactions energy: -123.010
where: short stacking energy: -58.625
Base-Backbone interact. energy: -0.014
local terms energy: -68.239376
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -13.300
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: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -200.214801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.214801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.214801 (E_RNA)
where:
Base-Base interactions energy: -133.676
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.027
local terms energy: -66.511459
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -101.555571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.555571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.555571 (E_RNA)
where:
Base-Base interactions energy: -42.997
where: short stacking energy: -36.004
Base-Backbone interact. energy: -0.266
local terms energy: -58.292360
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -87.983169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.983169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.983169 (E_RNA)
where:
Base-Base interactions energy: -27.657
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.081
local terms energy: -60.244787
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -72.113566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.113566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.113566 (E_RNA)
where:
Base-Base interactions energy: -24.387
where: short stacking energy: -17.403
Base-Backbone interact. energy: 0.045
local terms energy: -47.771921
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -6.523
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: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -74.127962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127962 (E_RNA)
where:
Base-Base interactions energy: -30.911
where: short stacking energy: -26.045
Base-Backbone interact. energy: -0.116
local terms energy: -43.101078
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -236.448641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.448641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.448641 (E_RNA)
where:
Base-Base interactions energy: -160.622
where: short stacking energy: -74.322
Base-Backbone interact. energy: -0.222
local terms energy: -75.604929
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -20.954
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: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -218.661068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.661068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.661068 (E_RNA)
where:
Base-Base interactions energy: -145.781
where: short stacking energy: -74.235
Base-Backbone interact. energy: -0.014
local terms energy: -72.866657
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.501
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: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -239.074032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.074032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.074032 (E_RNA)
where:
Base-Base interactions energy: -156.161
where: short stacking energy: -74.816
Base-Backbone interact. energy: -0.010
local terms energy: -82.902688
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -21.355
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: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -201.931525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.931525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.931525 (E_RNA)
where:
Base-Base interactions energy: -128.388
where: short stacking energy: -57.398
Base-Backbone interact. energy: -0.092
local terms energy: -73.450658
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -190.214638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.214638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.214638 (E_RNA)
where:
Base-Base interactions energy: -120.375
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.023
local terms energy: -69.816777
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -169.785254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.785254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.785254 (E_RNA)
where:
Base-Base interactions energy: -105.644
where: short stacking energy: -51.926
Base-Backbone interact. energy: -1.399
local terms energy: -62.742845
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -92.720227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.720227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.720227 (E_RNA)
where:
Base-Base interactions energy: -35.651
where: short stacking energy: -35.651
Base-Backbone interact. energy: -0.004
local terms energy: -57.064871
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -87.482924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.482924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.482924 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -18.572
Base-Backbone interact. energy: -0.476
local terms energy: -51.268722
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -79.570372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.570372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.570372 (E_RNA)
where:
Base-Base interactions energy: -22.236
where: short stacking energy: -21.486
Base-Backbone interact. energy: 0.775
local terms energy: -58.109121
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -9.252
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: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -76.324798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.324798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.324798 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -18.403
Base-Backbone interact. energy: -0.187
local terms energy: -43.682907
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: 2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -236.166521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.166521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.166521 (E_RNA)
where:
Base-Base interactions energy: -159.091
where: short stacking energy: -73.388
Base-Backbone interact. energy: -0.538
local terms energy: -76.537583
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -228.218209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.218209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218209 (E_RNA)
where:
Base-Base interactions energy: -148.546
where: short stacking energy: -71.002
Base-Backbone interact. energy: -0.012
local terms energy: -79.660714
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -22.258
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: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -214.209038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.209038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.209038 (E_RNA)
where:
Base-Base interactions energy: -142.374
where: short stacking energy: -69.132
Base-Backbone interact. energy: -1.252
local terms energy: -70.583069
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -202.641768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.641768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.641768 (E_RNA)
where:
Base-Base interactions energy: -132.780
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.013
local terms energy: -69.848587
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -3.551
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -185.392051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.392051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.392051 (E_RNA)
where:
Base-Base interactions energy: -121.426
where: short stacking energy: -54.933
Base-Backbone interact. energy: 0.441
local terms energy: -64.406693
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -11.513
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: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -96.226076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.226076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.226076 (E_RNA)
where:
Base-Base interactions energy: -48.954
where: short stacking energy: -28.622
Base-Backbone interact. energy: -1.636
local terms energy: -45.635598
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -157.827441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.827441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.827441 (E_RNA)
where:
Base-Base interactions energy: -98.850
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.371
local terms energy: -58.606672
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -83.124835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.124835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.124835 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.137
Base-Backbone interact. energy: -0.134
local terms energy: -50.264368
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -73.785850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.785850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.785850 (E_RNA)
where:
Base-Base interactions energy: -28.237
where: short stacking energy: -22.220
Base-Backbone interact. energy: -0.085
local terms energy: -45.464055
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -84.966257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.966257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.966257 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -22.442
Base-Backbone interact. energy: -0.176
local terms energy: -53.263579
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -236.604278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.604278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.604278 (E_RNA)
where:
Base-Base interactions energy: -160.883
where: short stacking energy: -76.188
Base-Backbone interact. energy: -0.004
local terms energy: -75.716877
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -17.407
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: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -230.248174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.248174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.248174 (E_RNA)
where:
Base-Base interactions energy: -151.981
where: short stacking energy: -72.258
Base-Backbone interact. energy: -0.005
local terms energy: -78.262512
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -211.301310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.301310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.301310 (E_RNA)
where:
Base-Base interactions energy: -144.558
where: short stacking energy: -70.132
Base-Backbone interact. energy: -0.034
local terms energy: -66.709326
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -202.187811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.187811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.187811 (E_RNA)
where:
Base-Base interactions energy: -129.880
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.035
local terms energy: -72.272943
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -192.337293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.337293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.337293 (E_RNA)
where:
Base-Base interactions energy: -124.281
where: short stacking energy: -58.968
Base-Backbone interact. energy: 0.858
local terms energy: -68.914408
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -98.728644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.728644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.728644 (E_RNA)
where:
Base-Base interactions energy: -46.604
where: short stacking energy: -42.972
Base-Backbone interact. energy: -0.016
local terms energy: -52.108468
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -164.766535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.766535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.766535 (E_RNA)
where:
Base-Base interactions energy: -103.884
where: short stacking energy: -53.908
Base-Backbone interact. energy: -0.041
local terms energy: -60.841464
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -80.288427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.288427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.288427 (E_RNA)
where:
Base-Base interactions energy: -30.597
where: short stacking energy: -29.902
Base-Backbone interact. energy: -0.794
local terms energy: -48.897417
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -7.273
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: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -84.361584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.361584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.361584 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -33.135
Base-Backbone interact. energy: -0.276
local terms energy: -44.068810
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -9.199
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: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -75.417220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.417220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.417220 (E_RNA)
where:
Base-Base interactions energy: -26.946
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.017
local terms energy: -48.454308
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -5.808
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: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -234.044617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.044617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.044617 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.004
local terms energy: -80.438475
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -206.449056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.449056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.449056 (E_RNA)
where:
Base-Base interactions energy: -135.490
where: short stacking energy: -65.571
Base-Backbone interact. energy: -0.044
local terms energy: -70.914740
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -8.878
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: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -218.905883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.905883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.905883 (E_RNA)
where:
Base-Base interactions energy: -150.091
where: short stacking energy: -77.622
Base-Backbone interact. energy: -0.155
local terms energy: -68.659544
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -198.671455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.671455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.671455 (E_RNA)
where:
Base-Base interactions energy: -127.480
where: short stacking energy: -62.238
Base-Backbone interact. energy: -0.092
local terms energy: -71.099685
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -214.177290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.177290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.177290 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -67.034
Base-Backbone interact. energy: -0.058
local terms energy: -66.711257
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -150.885988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.885988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.885988 (E_RNA)
where:
Base-Base interactions energy: -94.229
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.267
local terms energy: -56.390385
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -11.281
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: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -94.341904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.341904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.341904 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -36.891
Base-Backbone interact. energy: -0.921
local terms energy: -53.368743
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -80.878374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.878374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.878374 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.015
local terms energy: -46.586012
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -79.922465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922465 (E_RNA)
where:
Base-Base interactions energy: -28.940
where: short stacking energy: -25.096
Base-Backbone interact. energy: -0.192
local terms energy: -50.790608
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -78.200379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.200379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.200379 (E_RNA)
where:
Base-Base interactions energy: -25.346
where: short stacking energy: -23.600
Base-Backbone interact. energy: -0.197
local terms energy: -52.657718
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -222.006566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.006566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.006566 (E_RNA)
where:
Base-Base interactions energy: -144.915
where: short stacking energy: -76.772
Base-Backbone interact. energy: -0.019
local terms energy: -77.072630
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -231.548585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.548585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.548585 (E_RNA)
where:
Base-Base interactions energy: -159.630
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.001
local terms energy: -71.917855
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -204.889506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.889506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.889506 (E_RNA)
where:
Base-Base interactions energy: -135.471
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.402
local terms energy: -69.016153
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -20.125
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: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -217.785204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.785204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.785204 (E_RNA)
where:
Base-Base interactions energy: -140.914
where: short stacking energy: -70.743
Base-Backbone interact. energy: -0.332
local terms energy: -76.539321
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -221.194891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.194891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.194891 (E_RNA)
where:
Base-Base interactions energy: -153.157
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.023
local terms energy: -68.014403
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -163.286453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.286453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.286453 (E_RNA)
where:
Base-Base interactions energy: -100.828
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.015
local terms energy: -62.443464
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -94.279739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.279739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.279739 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -34.062
Base-Backbone interact. energy: -0.260
local terms energy: -59.957820
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -7.348
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: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -80.774936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.774936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.774936 (E_RNA)
where:
Base-Base interactions energy: -36.780
where: short stacking energy: -24.531
Base-Backbone interact. energy: 0.819
local terms energy: -44.814243
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: 3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -79.973467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.973467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.973467 (E_RNA)
where:
Base-Base interactions energy: -29.096
where: short stacking energy: -18.246
Base-Backbone interact. energy: -0.211
local terms energy: -50.667007
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -8.802
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: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -77.293460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.293460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.293460 (E_RNA)
where:
Base-Base interactions energy: -22.536
where: short stacking energy: -22.523
Base-Backbone interact. energy: -0.088
local terms energy: -54.669493
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -4.138
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: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -231.547762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.547762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.547762 (E_RNA)
where:
Base-Base interactions energy: -150.243
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.000
local terms energy: -81.304948
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -22.375
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: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -222.833165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.833165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.833165 (E_RNA)
where:
Base-Base interactions energy: -144.402
where: short stacking energy: -68.705
Base-Backbone interact. energy: -0.514
local terms energy: -77.917355
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -203.462353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.462353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.462353 (E_RNA)
where:
Base-Base interactions energy: -131.785
where: short stacking energy: -68.346
Base-Backbone interact. energy: 0.563
local terms energy: -72.240415
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.232
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: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -200.068457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.068457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.068457 (E_RNA)
where:
Base-Base interactions energy: -127.626
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.626
local terms energy: -71.816980
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.920
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -177.080547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.080547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.080547 (E_RNA)
where:
Base-Base interactions energy: -118.977
where: short stacking energy: -49.033
Base-Backbone interact. energy: 0.605
local terms energy: -58.709170
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -7.737
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -171.208368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.208368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.208368 (E_RNA)
where:
Base-Base interactions energy: -104.216
where: short stacking energy: -46.613
Base-Backbone interact. energy: -0.687
local terms energy: -66.305656
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -87.045893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.045893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.045893 (E_RNA)
where:
Base-Base interactions energy: -37.967
where: short stacking energy: -31.196
Base-Backbone interact. energy: -0.018
local terms energy: -49.060982
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -86.315986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.315986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.315986 (E_RNA)
where:
Base-Base interactions energy: -28.086
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.821
local terms energy: -57.409056
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -73.474446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.474446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.474446 (E_RNA)
where:
Base-Base interactions energy: -22.415
where: short stacking energy: -22.415
Base-Backbone interact. energy: 3.503
local terms energy: -54.562354
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: 0.486
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: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -85.090872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.090872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.090872 (E_RNA)
where:
Base-Base interactions energy: -39.905
where: short stacking energy: -34.454
Base-Backbone interact. energy: -0.148
local terms energy: -45.037649
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -6.212
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -232.918222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.918222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.918222 (E_RNA)
where:
Base-Base interactions energy: -157.189
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.001
local terms energy: -75.728021
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -224.177755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.177755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.177755 (E_RNA)
where:
Base-Base interactions energy: -151.162
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.063
local terms energy: -72.953342
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -227.215522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.215522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.215522 (E_RNA)
where:
Base-Base interactions energy: -147.963
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.001
local terms energy: -79.251637
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -22.741
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: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -201.028477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.028477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.028477 (E_RNA)
where:
Base-Base interactions energy: -132.447
where: short stacking energy: -61.514
Base-Backbone interact. energy: -0.253
local terms energy: -68.328091
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -8.861
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: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -170.306581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.306581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.306581 (E_RNA)
where:
Base-Base interactions energy: -102.044
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.203
local terms energy: -68.059669
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -204.318308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.318308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.318308 (E_RNA)
where:
Base-Base interactions energy: -126.261
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.105
local terms energy: -77.952409
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -23.025
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: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -98.430107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.430107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.430107 (E_RNA)
where:
Base-Base interactions energy: -44.506
where: short stacking energy: -24.400
Base-Backbone interact. energy: -0.183
local terms energy: -53.741445
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -87.283616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.283616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.283616 (E_RNA)
where:
Base-Base interactions energy: -31.906
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.560
local terms energy: -54.817881
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -93.247841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.247841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.247841 (E_RNA)
where:
Base-Base interactions energy: -29.934
where: short stacking energy: -29.934
Base-Backbone interact. energy: -0.018
local terms energy: -63.296223
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -77.385642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.385642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.385642 (E_RNA)
where:
Base-Base interactions energy: -31.623
where: short stacking energy: -31.545
Base-Backbone interact. energy: -0.015
local terms energy: -45.747603
where:
bonds (distance) C4'-P energy: -5.032
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.952
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: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -226.964751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.964751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.964751 (E_RNA)
where:
Base-Base interactions energy: -155.663
where: short stacking energy: -67.911
Base-Backbone interact. energy: -0.055
local terms energy: -71.246146
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.626
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: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -234.873929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.873929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.873929 (E_RNA)
where:
Base-Base interactions energy: -157.262
where: short stacking energy: -75.615
Base-Backbone interact. energy: -0.164
local terms energy: -77.448461
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -194.599006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.599006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.599006 (E_RNA)
where:
Base-Base interactions energy: -133.522
where: short stacking energy: -57.723
Base-Backbone interact. energy: 0.078
local terms energy: -61.154122
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -201.838113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.838113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.838113 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.019
local terms energy: -69.980237
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -182.210431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.210431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.210431 (E_RNA)
where:
Base-Base interactions energy: -112.166
where: short stacking energy: -48.333
Base-Backbone interact. energy: -0.108
local terms energy: -69.936268
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -185.336132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.336132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.336132 (E_RNA)
where:
Base-Base interactions energy: -119.371
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.053
local terms energy: -65.912504
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -99.354480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.354480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.354480 (E_RNA)
where:
Base-Base interactions energy: -41.978
where: short stacking energy: -36.475
Base-Backbone interact. energy: -0.129
local terms energy: -57.247388
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -93.325843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.325843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.325843 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -21.136
Base-Backbone interact. energy: -0.480
local terms energy: -54.166066
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: 0.669
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: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -80.649352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.649352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.649352 (E_RNA)
where:
Base-Base interactions energy: -30.705
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.345
local terms energy: -49.599076
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -6.474
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: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -73.823069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.823069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.823069 (E_RNA)
where:
Base-Base interactions energy: -26.732
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.111
local terms energy: -46.980348
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -7.020
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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -233.326631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.326631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.326631 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.004
local terms energy: -75.586540
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -10.225
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: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -229.165724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.165724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.165724 (E_RNA)
where:
Base-Base interactions energy: -150.401
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.048
local terms energy: -78.716303
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -212.390088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.390088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.390088 (E_RNA)
where:
Base-Base interactions energy: -132.699
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.010
local terms energy: -79.681104
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -18.931
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -188.749105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.749105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.749105 (E_RNA)
where:
Base-Base interactions energy: -124.880
where: short stacking energy: -58.227
Base-Backbone interact. energy: 0.698
local terms energy: -64.567522
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -203.418828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.418828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.418828 (E_RNA)
where:
Base-Base interactions energy: -133.050
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.713
local terms energy: -69.655641
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -9.999
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: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -184.839833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.839833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.839833 (E_RNA)
where:
Base-Base interactions energy: -119.992
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.231
local terms energy: -64.617166
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -18.522
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: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -127.958375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.958375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.958375 (E_RNA)
where:
Base-Base interactions energy: -77.365
where: short stacking energy: -27.761
Base-Backbone interact. energy: -0.864
local terms energy: -49.728998
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: 1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -93.264665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.264665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.264665 (E_RNA)
where:
Base-Base interactions energy: -53.781
where: short stacking energy: -27.304
Base-Backbone interact. energy: 1.296
local terms energy: -40.778977
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -80.664894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.664894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.664894 (E_RNA)
where:
Base-Base interactions energy: -21.609
where: short stacking energy: -21.311
Base-Backbone interact. energy: -0.024
local terms energy: -59.032061
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -4.240
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: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -71.713479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.713479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.713479 (E_RNA)
where:
Base-Base interactions energy: -26.861
where: short stacking energy: -20.418
Base-Backbone interact. energy: -0.092
local terms energy: -44.760875
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -2.246
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: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -230.449159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.449159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.449159 (E_RNA)
where:
Base-Base interactions energy: -148.959
where: short stacking energy: -68.871
Base-Backbone interact. energy: 1.426
local terms energy: -82.915801
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -13.937
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: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -231.257793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.257793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.257793 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -72.571
Base-Backbone interact. energy: -0.007
local terms energy: -80.011373
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -208.689372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.689372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.689372 (E_RNA)
where:
Base-Base interactions energy: -128.772
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.107
local terms energy: -79.810983
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -232.180160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.180160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.180160 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -75.419
Base-Backbone interact. energy: -0.000
local terms energy: -75.612824
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -22.116
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: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -197.175871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.175871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.175871 (E_RNA)
where:
Base-Base interactions energy: -120.892
where: short stacking energy: -65.531
Base-Backbone interact. energy: 0.374
local terms energy: -76.658304
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -175.697703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.697703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.697703 (E_RNA)
where:
Base-Base interactions energy: -117.215
where: short stacking energy: -55.849
Base-Backbone interact. energy: -0.857
local terms energy: -57.625708
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -6.517
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: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -144.650699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.650699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.650699 (E_RNA)
where:
Base-Base interactions energy: -81.840
where: short stacking energy: -46.334
Base-Backbone interact. energy: 0.108
local terms energy: -62.918443
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -87.423313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.423313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.423313 (E_RNA)
where:
Base-Base interactions energy: -40.803
where: short stacking energy: -22.483
Base-Backbone interact. energy: 1.796
local terms energy: -48.415538
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: 1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -83.826699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.826699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.826699 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -32.879
Base-Backbone interact. energy: -0.067
local terms energy: -50.880254
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -73.992399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.992399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.992399 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -19.606
Base-Backbone interact. energy: -0.104
local terms energy: -42.876702
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -2.486
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: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -234.141499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.141499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.141499 (E_RNA)
where:
Base-Base interactions energy: -154.454
where: short stacking energy: -77.221
Base-Backbone interact. energy: -0.043
local terms energy: -79.645151
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -223.629131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.629131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.629131 (E_RNA)
where:
Base-Base interactions energy: -145.225
where: short stacking energy: -75.445
Base-Backbone interact. energy: -0.001
local terms energy: -78.403234
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -23.572
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: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -222.729454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.729454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.729454 (E_RNA)
where:
Base-Base interactions energy: -137.186
where: short stacking energy: -73.755
Base-Backbone interact. energy: -0.005
local terms energy: -85.538012
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -13.389
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: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -202.957432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957432 (E_RNA)
where:
Base-Base interactions energy: -128.078
where: short stacking energy: -63.620
Base-Backbone interact. energy: -0.116
local terms energy: -74.764306
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -16.958
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: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -192.023104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.023104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.023104 (E_RNA)
where:
Base-Base interactions energy: -126.618
where: short stacking energy: -59.404
Base-Backbone interact. energy: -0.036
local terms energy: -65.368554
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -190.431703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.431703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.431703 (E_RNA)
where:
Base-Base interactions energy: -125.413
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.606
local terms energy: -64.412638
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -84.591963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.591963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.591963 (E_RNA)
where:
Base-Base interactions energy: -30.992
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.702
local terms energy: -52.897944
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -134.935738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.935738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.935738 (E_RNA)
where:
Base-Base interactions energy: -72.421
where: short stacking energy: -38.113
Base-Backbone interact. energy: -0.049
local terms energy: -62.466185
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -81.035150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.035150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.035150 (E_RNA)
where:
Base-Base interactions energy: -29.493
where: short stacking energy: -18.264
Base-Backbone interact. energy: -0.279
local terms energy: -51.263343
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -86.688687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.688687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.688687 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -30.386
Base-Backbone interact. energy: -0.454
local terms energy: -52.928963
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -4.155
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: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -232.797799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.797799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.797799 (E_RNA)
where:
Base-Base interactions energy: -152.678
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.418
local terms energy: -79.701988
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -231.118854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.118854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.118854 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.000
local terms energy: -84.061426
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -23.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -226.018197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.018197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.018197 (E_RNA)
where:
Base-Base interactions energy: -146.667
where: short stacking energy: -74.205
Base-Backbone interact. energy: -0.004
local terms energy: -79.346833
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -200.268226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.268226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.268226 (E_RNA)
where:
Base-Base interactions energy: -130.357
where: short stacking energy: -66.575
Base-Backbone interact. energy: -0.001
local terms energy: -69.910080
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -12.173
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: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -196.835960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.835960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.835960 (E_RNA)
where:
Base-Base interactions energy: -129.067
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.096
local terms energy: -67.672537
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -190.584397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.584397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.584397 (E_RNA)
where:
Base-Base interactions energy: -126.811
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.268
local terms energy: -63.504935
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -12.110
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: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -88.888853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.888853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.888853 (E_RNA)
where:
Base-Base interactions energy: -33.512
where: short stacking energy: -29.979
Base-Backbone interact. energy: 1.419
local terms energy: -56.796297
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -134.348025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.348025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.348025 (E_RNA)
where:
Base-Base interactions energy: -83.708
where: short stacking energy: -44.850
Base-Backbone interact. energy: -0.342
local terms energy: -50.297908
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -8.888
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: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -81.525756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525756 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -22.683
Base-Backbone interact. energy: -0.146
local terms energy: -42.752551
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: 3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -70.986133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.986133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.986133 (E_RNA)
where:
Base-Base interactions energy: -29.249
where: short stacking energy: -30.037
Base-Backbone interact. energy: 1.394
local terms energy: -43.130298
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -7.226
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: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -231.432646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.432646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.432646 (E_RNA)
where:
Base-Base interactions energy: -152.130
where: short stacking energy: -78.794
Base-Backbone interact. energy: -0.004
local terms energy: -79.298704
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -21.375
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: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -227.046395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.046395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.046395 (E_RNA)
where:
Base-Base interactions energy: -150.748
where: short stacking energy: -75.049
Base-Backbone interact. energy: -0.017
local terms energy: -76.281340
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -207.442974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.442974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.442974 (E_RNA)
where:
Base-Base interactions energy: -131.430
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.007
local terms energy: -76.005636
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -203.483841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.483841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.483841 (E_RNA)
where:
Base-Base interactions energy: -126.056
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.044
local terms energy: -77.382897
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.413
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: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -211.066664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.066664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.066664 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.007
local terms energy: -76.599779
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -172.871178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.871178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.871178 (E_RNA)
where:
Base-Base interactions energy: -108.178
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.103
local terms energy: -64.589908
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -83.972049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.972049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.972049 (E_RNA)
where:
Base-Base interactions energy: -29.176
where: short stacking energy: -26.080
Base-Backbone interact. energy: 0.599
local terms energy: -55.394556
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -9.981
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: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -81.649903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.649903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.649903 (E_RNA)
where:
Base-Base interactions energy: -27.271
where: short stacking energy: -26.461
Base-Backbone interact. energy: -0.011
local terms energy: -54.367823
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -2.922
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: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -74.164923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.164923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.164923 (E_RNA)
where:
Base-Base interactions energy: -19.500
where: short stacking energy: -19.500
Base-Backbone interact. energy: -0.675
local terms energy: -53.990446
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -4.617
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: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -85.015519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.015519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.015519 (E_RNA)
where:
Base-Base interactions energy: -30.493
where: short stacking energy: -30.076
Base-Backbone interact. energy: -0.068
local terms energy: -54.455066
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -237.447145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.447145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.447145 (E_RNA)
where:
Base-Base interactions energy: -158.762
where: short stacking energy: -77.591
Base-Backbone interact. energy: -0.002
local terms energy: -78.683487
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -22.997
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: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -206.798738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.798738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.798738 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.083
local terms energy: -79.941100
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -218.854550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.854550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.854550 (E_RNA)
where:
Base-Base interactions energy: -145.579
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.005
local terms energy: -73.270465
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -197.248845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.248845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.248845 (E_RNA)
where:
Base-Base interactions energy: -127.821
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.008
local terms energy: -69.419739
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -204.473393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.473393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.473393 (E_RNA)
where:
Base-Base interactions energy: -138.973
where: short stacking energy: -63.311
Base-Backbone interact. energy: 0.610
local terms energy: -66.110054
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -185.673854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.673854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.673854 (E_RNA)
where:
Base-Base interactions energy: -118.991
where: short stacking energy: -54.309
Base-Backbone interact. energy: -0.078
local terms energy: -66.604973
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -82.497922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497922 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -27.635
Base-Backbone interact. energy: -0.069
local terms energy: -54.602681
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -6.724
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: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -81.513335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.513335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.513335 (E_RNA)
where:
Base-Base interactions energy: -29.502
where: short stacking energy: -24.366
Base-Backbone interact. energy: -1.212
local terms energy: -50.799112
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -96.919803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.919803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.919803 (E_RNA)
where:
Base-Base interactions energy: -39.186
where: short stacking energy: -39.138
Base-Backbone interact. energy: 2.091
local terms energy: -59.825406
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -76.893800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.893800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.893800 (E_RNA)
where:
Base-Base interactions energy: -23.234
where: short stacking energy: -22.915
Base-Backbone interact. energy: 0.223
local terms energy: -53.882483
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -6.585
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: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -232.258501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.258501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.258501 (E_RNA)
where:
Base-Base interactions energy: -154.547
where: short stacking energy: -72.547
Base-Backbone interact. energy: -0.001
local terms energy: -77.709725
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -214.991050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.991050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.991050 (E_RNA)
where:
Base-Base interactions energy: -140.103
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.006
local terms energy: -74.881948
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -14.278
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: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -206.619841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619841 (E_RNA)
where:
Base-Base interactions energy: -129.729
where: short stacking energy: -63.428
Base-Backbone interact. energy: -0.177
local terms energy: -76.713909
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -9.163
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: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -193.492146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.492146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.492146 (E_RNA)
where:
Base-Base interactions energy: -120.300
where: short stacking energy: -70.927
Base-Backbone interact. energy: -0.012
local terms energy: -73.180042
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -216.423456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.423456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.423456 (E_RNA)
where:
Base-Base interactions energy: -138.076
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.001
local terms energy: -78.346461
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.759
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: 192
Temperature: 1.150000
Total energy: -195.716718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.716718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.716718 (E_RNA)
where:
Base-Base interactions energy: -125.638
where: short stacking energy: -57.272
Base-Backbone interact. energy: -0.003
local terms energy: -70.075842
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -90.433962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.433962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.433962 (E_RNA)
where:
Base-Base interactions energy: -32.502
where: short stacking energy: -29.861
Base-Backbone interact. energy: -0.028
local terms energy: -57.904497
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -81.090196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.090196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.090196 (E_RNA)
where:
Base-Base interactions energy: -23.444
where: short stacking energy: -19.873
Base-Backbone interact. energy: -0.095
local terms energy: -57.551499
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -6.942
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: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -73.067198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.067198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.067198 (E_RNA)
where:
Base-Base interactions energy: -22.797
where: short stacking energy: -22.797
Base-Backbone interact. energy: 0.559
local terms energy: -50.829219
where:
bonds (distance) C4'-P energy: -7.131
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -1.200
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: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -72.529184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.529184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.529184 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -17.679
Base-Backbone interact. energy: -0.157
local terms energy: -45.252061
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -234.917019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.917019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.917019 (E_RNA)
where:
Base-Base interactions energy: -158.804
where: short stacking energy: -75.150
Base-Backbone interact. energy: -0.069
local terms energy: -76.044092
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -21.445
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: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -210.205270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.205270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.205270 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -64.965
Base-Backbone interact. energy: 1.208
local terms energy: -76.010514
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -208.606399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.606399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.606399 (E_RNA)
where:
Base-Base interactions energy: -138.661
where: short stacking energy: -68.043
Base-Backbone interact. energy: 0.349
local terms energy: -70.294281
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -216.839097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.839097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.839097 (E_RNA)
where:
Base-Base interactions energy: -150.083
where: short stacking energy: -64.405
Base-Backbone interact. energy: -0.016
local terms energy: -66.740305
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -18.022
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: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -196.994829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.994829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.994829 (E_RNA)
where:
Base-Base interactions energy: -128.258
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.002
local terms energy: -68.734605
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -218.470004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.470004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.470004 (E_RNA)
where:
Base-Base interactions energy: -141.337
where: short stacking energy: -66.965
Base-Backbone interact. energy: -0.800
local terms energy: -76.333045
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -93.324321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.324321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.324321 (E_RNA)
where:
Base-Base interactions energy: -35.555
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.128
local terms energy: -57.641292
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -91.074153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.074153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.074153 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.349
local terms energy: -50.081115
where:
bonds (distance) C4'-P energy: -7.410
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -78.935848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.935848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.935848 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.099
local terms energy: -49.801451
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -74.256620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.256620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.256620 (E_RNA)
where:
Base-Base interactions energy: -26.463
where: short stacking energy: -26.463
Base-Backbone interact. energy: -0.242
local terms energy: -47.551499
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -6.572
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: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -215.270881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.270881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.270881 (E_RNA)
where:
Base-Base interactions energy: -140.924
where: short stacking energy: -71.587
Base-Backbone interact. energy: -0.000
local terms energy: -74.346449
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -18.624
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: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -226.797699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.797699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.797699 (E_RNA)
where:
Base-Base interactions energy: -151.299
where: short stacking energy: -73.337
Base-Backbone interact. energy: -0.065
local terms energy: -75.433949
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -220.528704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.528704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.528704 (E_RNA)
where:
Base-Base interactions energy: -143.021
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.092
local terms energy: -77.415736
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -12.209
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: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -204.025637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.025637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.025637 (E_RNA)
where:
Base-Base interactions energy: -126.079
where: short stacking energy: -59.790
Base-Backbone interact. energy: 0.168
local terms energy: -78.115229
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -20.222
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: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -218.807090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.807090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.807090 (E_RNA)
where:
Base-Base interactions energy: -144.638
where: short stacking energy: -75.118
Base-Backbone interact. energy: -0.014
local terms energy: -74.155292
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -20.445
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: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -186.199664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.199664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.199664 (E_RNA)
where:
Base-Base interactions energy: -118.457
where: short stacking energy: -57.745
Base-Backbone interact. energy: -0.024
local terms energy: -67.718739
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -14.585
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: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -153.037655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.037655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.037655 (E_RNA)
where:
Base-Base interactions energy: -93.469
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.036
local terms energy: -59.533063
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -88.266526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266526 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -35.048
Base-Backbone interact. energy: -0.087
local terms energy: -53.132132
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -7.113
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: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -78.702195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.702195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.702195 (E_RNA)
where:
Base-Base interactions energy: -23.713
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.623
local terms energy: -54.366361
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -74.794839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.794839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.794839 (E_RNA)
where:
Base-Base interactions energy: -25.094
where: short stacking energy: -20.784
Base-Backbone interact. energy: -0.703
local terms energy: -48.998312
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: 3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -216.957501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.957501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.957501 (E_RNA)
where:
Base-Base interactions energy: -145.770
where: short stacking energy: -73.436
Base-Backbone interact. energy: -0.022
local terms energy: -71.165572
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -230.664489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.664489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.664489 (E_RNA)
where:
Base-Base interactions energy: -151.909
where: short stacking energy: -74.177
Base-Backbone interact. energy: -0.010
local terms energy: -78.745203
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -221.370381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.370381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.370381 (E_RNA)
where:
Base-Base interactions energy: -147.311
where: short stacking energy: -75.729
Base-Backbone interact. energy: -0.001
local terms energy: -74.057692
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -20.910
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: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -216.307022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.307022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.307022 (E_RNA)
where:
Base-Base interactions energy: -153.395
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.002
local terms energy: -62.910610
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -19.412
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: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -195.957977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.957977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.957977 (E_RNA)
where:
Base-Base interactions energy: -124.918
where: short stacking energy: -59.354
Base-Backbone interact. energy: -0.149
local terms energy: -70.890348
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -20.636
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: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -167.345563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.345563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.345563 (E_RNA)
where:
Base-Base interactions energy: -97.012
where: short stacking energy: -45.187
Base-Backbone interact. energy: -0.759
local terms energy: -69.573893
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -7.863
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: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -168.473180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.473180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.473180 (E_RNA)
where:
Base-Base interactions energy: -112.888
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.103
local terms energy: -55.482569
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -9.187
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: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -91.478089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.478089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.478089 (E_RNA)
where:
Base-Base interactions energy: -40.539
where: short stacking energy: -33.714
Base-Backbone interact. energy: -1.075
local terms energy: -49.864428
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -80.497292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.497292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.497292 (E_RNA)
where:
Base-Base interactions energy: -25.321
where: short stacking energy: -25.321
Base-Backbone interact. energy: -0.038
local terms energy: -55.138353
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -106.249788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.249788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.249788 (E_RNA)
where:
Base-Base interactions energy: -59.035
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.412
local terms energy: -46.802018
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -233.628454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.628454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.628454 (E_RNA)
where:
Base-Base interactions energy: -154.460
where: short stacking energy: -71.847
Base-Backbone interact. energy: -0.124
local terms energy: -79.044166
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -221.717463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.717463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.717463 (E_RNA)
where:
Base-Base interactions energy: -147.106
where: short stacking energy: -72.850
Base-Backbone interact. energy: -0.025
local terms energy: -74.586603
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -229.472216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.472216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.472216 (E_RNA)
where:
Base-Base interactions energy: -150.053
where: short stacking energy: -73.035
Base-Backbone interact. energy: -0.076
local terms energy: -79.343039
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -180.784063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.784063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.784063 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -48.328
Base-Backbone interact. energy: -0.070
local terms energy: -55.619985
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -182.312317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.312317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.312317 (E_RNA)
where:
Base-Base interactions energy: -123.259
where: short stacking energy: -52.331
Base-Backbone interact. energy: -0.529
local terms energy: -58.523774
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.981
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: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -171.556659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.556659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.556659 (E_RNA)
where:
Base-Base interactions energy: -114.522
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.089
local terms energy: -56.945269
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -167.994409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.994409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.994409 (E_RNA)
where:
Base-Base interactions energy: -109.465
where: short stacking energy: -56.351
Base-Backbone interact. energy: -0.004
local terms energy: -58.525288
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -8.162
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -79.205106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.205106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.205106 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -21.570
Base-Backbone interact. energy: -0.007
local terms energy: -50.676836
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -75.700661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.700661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.700661 (E_RNA)
where:
Base-Base interactions energy: -27.559
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.061
local terms energy: -48.081256
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -8.237
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: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -76.091741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.091741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.091741 (E_RNA)
where:
Base-Base interactions energy: -23.138
where: short stacking energy: -23.138
Base-Backbone interact. energy: -0.111
local terms energy: -52.843127
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -236.425938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.425938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.425938 (E_RNA)
where:
Base-Base interactions energy: -162.761
where: short stacking energy: -76.913
Base-Backbone interact. energy: -0.141
local terms energy: -73.523861
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -231.864731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.864731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.864731 (E_RNA)
where:
Base-Base interactions energy: -154.859
where: short stacking energy: -76.337
Base-Backbone interact. energy: -0.109
local terms energy: -76.897265
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -212.127851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.127851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.127851 (E_RNA)
where:
Base-Base interactions energy: -136.333
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.000
local terms energy: -75.794754
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -189.016965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.016965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.016965 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.237
local terms energy: -63.929868
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -183.870334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.870334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.870334 (E_RNA)
where:
Base-Base interactions energy: -118.372
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.016
local terms energy: -65.482010
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -10.953
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: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -191.460709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.460709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.460709 (E_RNA)
where:
Base-Base interactions energy: -123.164
where: short stacking energy: -62.290
Base-Backbone interact. energy: -0.159
local terms energy: -68.137884
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -155.259749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.259749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.259749 (E_RNA)
where:
Base-Base interactions energy: -101.735
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.340
local terms energy: -53.184746
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -9.821
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: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -78.013986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.013986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.013986 (E_RNA)
where:
Base-Base interactions energy: -26.989
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.175
local terms energy: -50.850109
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -9.697
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: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -89.408039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.408039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.408039 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -36.756
Base-Backbone interact. energy: -0.134
local terms energy: -51.425723
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -5.862
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: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -84.593542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.593542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.593542 (E_RNA)
where:
Base-Base interactions energy: -26.096
where: short stacking energy: -26.096
Base-Backbone interact. energy: -0.016
local terms energy: -58.481575
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -234.946616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.946616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.946616 (E_RNA)
where:
Base-Base interactions energy: -157.643
where: short stacking energy: -81.746
Base-Backbone interact. energy: -0.002
local terms energy: -77.301720
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -22.528
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: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -213.446017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.446017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.446017 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -64.830
Base-Backbone interact. energy: -0.616
local terms energy: -75.120604
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -200.615543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.615543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.615543 (E_RNA)
where:
Base-Base interactions energy: -133.491
where: short stacking energy: -61.822
Base-Backbone interact. energy: -0.002
local terms energy: -67.122544
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -204.351704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.351704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.351704 (E_RNA)
where:
Base-Base interactions energy: -127.241
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.048
local terms energy: -77.062665
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -213.242566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.242566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242566 (E_RNA)
where:
Base-Base interactions energy: -147.334
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.470
local terms energy: -65.438366
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.890
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: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -183.248677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.248677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.248677 (E_RNA)
where:
Base-Base interactions energy: -109.502
where: short stacking energy: -52.698
Base-Backbone interact. energy: -0.224
local terms energy: -73.522886
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -16.554
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: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -120.555095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.555095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.555095 (E_RNA)
where:
Base-Base interactions energy: -63.219
where: short stacking energy: -37.497
Base-Backbone interact. energy: -0.091
local terms energy: -57.244461
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -90.204089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.204089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.204089 (E_RNA)
where:
Base-Base interactions energy: -37.346
where: short stacking energy: -37.346
Base-Backbone interact. energy: -0.074
local terms energy: -52.784234
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -80.493457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.493457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.493457 (E_RNA)
where:
Base-Base interactions energy: -23.509
where: short stacking energy: -23.509
Base-Backbone interact. energy: -0.210
local terms energy: -56.774915
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -74.096371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.096371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.096371 (E_RNA)
where:
Base-Base interactions energy: -22.854
where: short stacking energy: -16.708
Base-Backbone interact. energy: -0.130
local terms energy: -51.112516
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -9.284
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -239.523660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.523660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.523660 (E_RNA)
where:
Base-Base interactions energy: -161.926
where: short stacking energy: -76.689
Base-Backbone interact. energy: -0.002
local terms energy: -77.595908
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -23.191
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: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -212.419553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.419553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.419553 (E_RNA)
where:
Base-Base interactions energy: -141.509
where: short stacking energy: -73.153
Base-Backbone interact. energy: -0.045
local terms energy: -70.865048
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -18.882
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: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -212.736970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.736970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.736970 (E_RNA)
where:
Base-Base interactions energy: -138.141
where: short stacking energy: -62.937
Base-Backbone interact. energy: -0.143
local terms energy: -74.453478
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -13.211
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: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -225.195019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.195019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.195019 (E_RNA)
where:
Base-Base interactions energy: -155.345
where: short stacking energy: -75.575
Base-Backbone interact. energy: -0.286
local terms energy: -69.564209
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -193.561340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561340 (E_RNA)
where:
Base-Base interactions energy: -122.059
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.228
local terms energy: -71.274169
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -196.847670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.847670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.847670 (E_RNA)
where:
Base-Base interactions energy: -130.014
where: short stacking energy: -66.718
Base-Backbone interact. energy: -0.000
local terms energy: -66.833911
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -119.435468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.435468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.435468 (E_RNA)
where:
Base-Base interactions energy: -61.273
where: short stacking energy: -21.625
Base-Backbone interact. energy: 0.586
local terms energy: -58.748537
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -79.824649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.824649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.824649 (E_RNA)
where:
Base-Base interactions energy: -29.079
where: short stacking energy: -29.079
Base-Backbone interact. energy: -0.082
local terms energy: -50.664105
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -78.829767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.829767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.829767 (E_RNA)
where:
Base-Base interactions energy: -27.026
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.297
local terms energy: -51.506779
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -4.005
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: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -80.445061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.445061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.445061 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -22.876
Base-Backbone interact. energy: -1.344
local terms energy: -45.479513
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -4.507
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: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -239.092532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.092532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.092532 (E_RNA)
where:
Base-Base interactions energy: -161.876
where: short stacking energy: -77.039
Base-Backbone interact. energy: -0.127
local terms energy: -77.089604
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -214.867222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.867222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.867222 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -70.997
Base-Backbone interact. energy: -0.029
local terms energy: -76.901920
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -225.960450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.960450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.960450 (E_RNA)
where:
Base-Base interactions energy: -151.028
where: short stacking energy: -73.135
Base-Backbone interact. energy: -0.002
local terms energy: -74.930600
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -217.566975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.566975 (E_RNA)
where:
Base-Base interactions energy: -142.699
where: short stacking energy: -69.365
Base-Backbone interact. energy: 1.941
local terms energy: -76.808861
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -193.187352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.187352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.187352 (E_RNA)
where:
Base-Base interactions energy: -123.077
where: short stacking energy: -69.250
Base-Backbone interact. energy: -0.009
local terms energy: -70.102250
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -170.466522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.466522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.466522 (E_RNA)
where:
Base-Base interactions energy: -108.468
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.563
local terms energy: -61.435924
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -11.741
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: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -92.749927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.749927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.749927 (E_RNA)
where:
Base-Base interactions energy: -38.750
where: short stacking energy: -28.619
Base-Backbone interact. energy: -0.518
local terms energy: -53.481480
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -78.071639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.071639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.071639 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -18.678
Base-Backbone interact. energy: -0.018
local terms energy: -46.557754
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -74.420652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.420652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.420652 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.233
local terms energy: -39.198495
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: 0.244
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -85.397032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.397032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.397032 (E_RNA)
where:
Base-Base interactions energy: -27.500
where: short stacking energy: -21.991
Base-Backbone interact. energy: 0.334
local terms energy: -58.230431
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -237.178747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.178747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.178747 (E_RNA)
where:
Base-Base interactions energy: -162.034
where: short stacking energy: -77.577
Base-Backbone interact. energy: -0.004
local terms energy: -75.140907
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -229.911408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911408 (E_RNA)
where:
Base-Base interactions energy: -156.767
where: short stacking energy: -75.993
Base-Backbone interact. energy: -0.000
local terms energy: -73.144299
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -11.147
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: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -204.755306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.755306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.755306 (E_RNA)
where:
Base-Base interactions energy: -131.524
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.001
local terms energy: -73.229410
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -217.588109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.588109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.588109 (E_RNA)
where:
Base-Base interactions energy: -150.529
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.000
local terms energy: -67.059239
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -22.767
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: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -215.886762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.886762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.886762 (E_RNA)
where:
Base-Base interactions energy: -151.069
where: short stacking energy: -69.712
Base-Backbone interact. energy: -0.107
local terms energy: -64.710344
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -5.306
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: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -114.976666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.976666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.976666 (E_RNA)
where:
Base-Base interactions energy: -64.939
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.142
local terms energy: -49.895087
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -163.348207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.348207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.348207 (E_RNA)
where:
Base-Base interactions energy: -100.610
where: short stacking energy: -47.405
Base-Backbone interact. energy: -0.079
local terms energy: -62.658694
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -91.815746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.815746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.815746 (E_RNA)
where:
Base-Base interactions energy: -34.523
where: short stacking energy: -28.287
Base-Backbone interact. energy: -0.203
local terms energy: -57.089196
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -75.611711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.611711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.611711 (E_RNA)
where:
Base-Base interactions energy: -33.968
where: short stacking energy: -33.968
Base-Backbone interact. energy: -0.213
local terms energy: -41.431184
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -6.800
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -67.972652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.972652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.972652 (E_RNA)
where:
Base-Base interactions energy: -22.925
where: short stacking energy: -20.408
Base-Backbone interact. energy: -0.468
local terms energy: -44.579451
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -236.465586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.465586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.465586 (E_RNA)
where:
Base-Base interactions energy: -159.202
where: short stacking energy: -79.039
Base-Backbone interact. energy: -0.001
local terms energy: -77.262471
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -221.740911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.740911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.740911 (E_RNA)
where:
Base-Base interactions energy: -151.071
where: short stacking energy: -73.750
Base-Backbone interact. energy: -0.003
local terms energy: -70.666661
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -12.559
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: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -209.857764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.857764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.857764 (E_RNA)
where:
Base-Base interactions energy: -136.237
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.032
local terms energy: -73.588773
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -208.368064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.368064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.368064 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.001
local terms energy: -73.624232
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -19.550
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: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -192.032266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.032266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.032266 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -61.384
Base-Backbone interact. energy: -0.020
local terms energy: -59.582522
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -100.726073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.726073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.726073 (E_RNA)
where:
Base-Base interactions energy: -41.478
where: short stacking energy: -41.478
Base-Backbone interact. energy: -0.157
local terms energy: -59.090680
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -9.515
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: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -167.534593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.534593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.534593 (E_RNA)
where:
Base-Base interactions energy: -100.867
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.017
local terms energy: -66.650649
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -88.577730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.577730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.577730 (E_RNA)
where:
Base-Base interactions energy: -36.004
where: short stacking energy: -35.653
Base-Backbone interact. energy: -0.632
local terms energy: -51.941714
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -73.457769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.457769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.457769 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -7.987
Base-Backbone interact. energy: -0.483
local terms energy: -35.786826
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: 3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -72.189721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.189721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.189721 (E_RNA)
where:
Base-Base interactions energy: -23.783
where: short stacking energy: -23.242
Base-Backbone interact. energy: 1.711
local terms energy: -50.117116
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -232.480045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.480045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.480045 (E_RNA)
where:
Base-Base interactions energy: -153.035
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.002
local terms energy: -79.442660
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -22.013
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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -231.219984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.219984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.219984 (E_RNA)
where:
Base-Base interactions energy: -147.824
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.000
local terms energy: -83.395491
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -201.665619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.665619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.665619 (E_RNA)
where:
Base-Base interactions energy: -135.767
where: short stacking energy: -61.931
Base-Backbone interact. energy: -0.228
local terms energy: -65.670064
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -196.336144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.336144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.336144 (E_RNA)
where:
Base-Base interactions energy: -124.029
where: short stacking energy: -64.568
Base-Backbone interact. energy: -0.832
local terms energy: -71.475546
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -17.822
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: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -195.891347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.891347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.891347 (E_RNA)
where:
Base-Base interactions energy: -124.052
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.071
local terms energy: -71.767420
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -171.559189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.559189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.559189 (E_RNA)
where:
Base-Base interactions energy: -102.422
where: short stacking energy: -45.456
Base-Backbone interact. energy: -0.575
local terms energy: -68.562599
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -104.703556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.703556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.703556 (E_RNA)
where:
Base-Base interactions energy: -52.174
where: short stacking energy: -23.936
Base-Backbone interact. energy: -1.927
local terms energy: -50.602256
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: 0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -95.994830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.994830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.994830 (E_RNA)
where:
Base-Base interactions energy: -43.786
where: short stacking energy: -43.408
Base-Backbone interact. energy: -0.197
local terms energy: -52.011813
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -84.401817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.401817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.401817 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.061
local terms energy: -50.952612
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -77.883643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.883643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.883643 (E_RNA)
where:
Base-Base interactions energy: -25.947
where: short stacking energy: -23.857
Base-Backbone interact. energy: 0.068
local terms energy: -52.004591
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: 3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -234.988464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.988464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.988464 (E_RNA)
where:
Base-Base interactions energy: -154.654
where: short stacking energy: -74.615
Base-Backbone interact. energy: -0.001
local terms energy: -80.333586
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -22.878
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: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -229.468245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.468245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.468245 (E_RNA)
where:
Base-Base interactions energy: -153.840
where: short stacking energy: -70.407
Base-Backbone interact. energy: -0.029
local terms energy: -75.598768
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -227.053441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.053441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.053441 (E_RNA)
where:
Base-Base interactions energy: -155.742
where: short stacking energy: -75.520
Base-Backbone interact. energy: -0.005
local terms energy: -71.306895
where:
bonds (distance) C4'-P energy: -7.133
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -190.453683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.453683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.453683 (E_RNA)
where:
Base-Base interactions energy: -124.912
where: short stacking energy: -69.406
Base-Backbone interact. energy: 0.977
local terms energy: -66.519046
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -8.569
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: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -192.105991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.105991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.105991 (E_RNA)
where:
Base-Base interactions energy: -122.286
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.496
local terms energy: -69.323739
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -14.102
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: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -185.596058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.596058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.596058 (E_RNA)
where:
Base-Base interactions energy: -121.038
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.023
local terms energy: -64.535527
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -17.051
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: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -89.241295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.241295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.241295 (E_RNA)
where:
Base-Base interactions energy: -28.764
where: short stacking energy: -25.222
Base-Backbone interact. energy: -0.080
local terms energy: -60.397837
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -85.035607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.035607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.035607 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -23.948
Base-Backbone interact. energy: -0.292
local terms energy: -50.628482
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -96.154071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.154071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.154071 (E_RNA)
where:
Base-Base interactions energy: -45.455
where: short stacking energy: -43.027
Base-Backbone interact. energy: 2.613
local terms energy: -53.312543
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -8.240
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: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -75.720266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.720266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.720266 (E_RNA)
where:
Base-Base interactions energy: -27.062
where: short stacking energy: -27.062
Base-Backbone interact. energy: -0.132
local terms energy: -48.526469
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: 3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -232.751673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.751673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.751673 (E_RNA)
where:
Base-Base interactions energy: -154.936
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.000
local terms energy: -77.815583
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -22.203
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: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -228.124809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.124809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.124809 (E_RNA)
where:
Base-Base interactions energy: -150.550
where: short stacking energy: -69.644
Base-Backbone interact. energy: 1.177
local terms energy: -78.752322
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -225.524705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.524705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.524705 (E_RNA)
where:
Base-Base interactions energy: -150.214
where: short stacking energy: -78.330
Base-Backbone interact. energy: -0.026
local terms energy: -75.285351
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -203.671067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.671067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.671067 (E_RNA)
where:
Base-Base interactions energy: -138.212
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.007
local terms energy: -65.452387
where:
bonds (distance) C4'-P energy: -6.849
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -168.578684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.578684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.578684 (E_RNA)
where:
Base-Base interactions energy: -110.383
where: short stacking energy: -54.823
Base-Backbone interact. energy: -0.469
local terms energy: -57.726144
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -12.934
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: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -197.891947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.891947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.891947 (E_RNA)
where:
Base-Base interactions energy: -131.709
where: short stacking energy: -63.976
Base-Backbone interact. energy: -0.011
local terms energy: -66.171726
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -8.773
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -17.830
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: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -92.211282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.211282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.211282 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -37.746
Base-Backbone interact. energy: -0.012
local terms energy: -54.452963
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -7.505
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: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -88.722140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.722140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.722140 (E_RNA)
where:
Base-Base interactions energy: -34.645
where: short stacking energy: -24.334
Base-Backbone interact. energy: 1.086
local terms energy: -55.163046
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -2.837
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: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -80.238101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238101 (E_RNA)
where:
Base-Base interactions energy: -23.657
where: short stacking energy: -23.657
Base-Backbone interact. energy: -0.100
local terms energy: -56.480225
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -71.657331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.657331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.657331 (E_RNA)
where:
Base-Base interactions energy: -23.694
where: short stacking energy: -20.576
Base-Backbone interact. energy: -0.183
local terms energy: -47.780259
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -3.747
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: 206
Temperature: 0.900000
Total energy: -234.207823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.207823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.207823 (E_RNA)
where:
Base-Base interactions energy: -152.153
where: short stacking energy: -76.359
Base-Backbone interact. energy: -0.000
local terms energy: -82.054547
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -232.361020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.361020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.361020 (E_RNA)
where:
Base-Base interactions energy: -154.725
where: short stacking energy: -73.865
Base-Backbone interact. energy: -0.003
local terms energy: -77.633485
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -21.444
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: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -225.488173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.488173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.488173 (E_RNA)
where:
Base-Base interactions energy: -147.591
where: short stacking energy: -69.716
Base-Backbone interact. energy: -0.008
local terms energy: -77.889707
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -21.993
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: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -205.011741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.011741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.011741 (E_RNA)
where:
Base-Base interactions energy: -134.490
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.065
local terms energy: -70.457444
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -201.296904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.296904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.296904 (E_RNA)
where:
Base-Base interactions energy: -131.120
where: short stacking energy: -67.518
Base-Backbone interact. energy: -0.042
local terms energy: -70.135366
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -166.168621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.168621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.168621 (E_RNA)
where:
Base-Base interactions energy: -100.062
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.032
local terms energy: -66.074646
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -9.379
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: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -79.552705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.552705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.552705 (E_RNA)
where:
Base-Base interactions energy: -28.726
where: short stacking energy: -28.608
Base-Backbone interact. energy: -0.024
local terms energy: -50.802760
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -2.264
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: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -89.922793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.922793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.922793 (E_RNA)
where:
Base-Base interactions energy: -35.341
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.014
local terms energy: -54.567965
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -72.512628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.512628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.512628 (E_RNA)
where:
Base-Base interactions energy: -24.897
where: short stacking energy: -23.860
Base-Backbone interact. energy: -0.360
local terms energy: -47.255674
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -4.005
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: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -78.051369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.051369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.051369 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -22.075
Base-Backbone interact. energy: -0.065
local terms energy: -44.466838
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: 2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -233.712681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.712681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.712681 (E_RNA)
where:
Base-Base interactions energy: -152.724
where: short stacking energy: -72.240
Base-Backbone interact. energy: -0.001
local terms energy: -80.987688
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -19.772
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: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -229.491145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.491145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.491145 (E_RNA)
where:
Base-Base interactions energy: -158.764
where: short stacking energy: -72.326
Base-Backbone interact. energy: -0.051
local terms energy: -70.675487
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -230.307720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.307720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.307720 (E_RNA)
where:
Base-Base interactions energy: -153.258
where: short stacking energy: -72.714
Base-Backbone interact. energy: -0.003
local terms energy: -77.046886
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -203.263593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.263593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.263593 (E_RNA)
where:
Base-Base interactions energy: -127.195
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.068
local terms energy: -76.000211
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -192.165621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.165621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.165621 (E_RNA)
where:
Base-Base interactions energy: -120.019
where: short stacking energy: -50.893
Base-Backbone interact. energy: -0.035
local terms energy: -72.112067
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -174.791697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.791697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.791697 (E_RNA)
where:
Base-Base interactions energy: -108.706
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.161
local terms energy: -65.924655
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -93.234628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.234628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.234628 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.302
local terms energy: -63.626516
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -86.043790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.043790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.043790 (E_RNA)
where:
Base-Base interactions energy: -38.383
where: short stacking energy: -38.383
Base-Backbone interact. energy: -0.224
local terms energy: -47.436672
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -82.185589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.185589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.185589 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -31.949
Base-Backbone interact. energy: -0.247
local terms energy: -49.406550
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -3.183
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: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -71.333242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.333242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.333242 (E_RNA)
where:
Base-Base interactions energy: -20.862
where: short stacking energy: -20.862
Base-Backbone interact. energy: -0.094
local terms energy: -50.377077
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.679
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: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -236.505752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.505752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.505752 (E_RNA)
where:
Base-Base interactions energy: -154.564
where: short stacking energy: -73.657
Base-Backbone interact. energy: -0.093
local terms energy: -81.849369
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -227.077221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.077221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.077221 (E_RNA)
where:
Base-Base interactions energy: -148.513
where: short stacking energy: -70.386
Base-Backbone interact. energy: -0.098
local terms energy: -78.465776
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.414
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: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -236.645610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.645610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.645610 (E_RNA)
where:
Base-Base interactions energy: -160.699
where: short stacking energy: -74.399
Base-Backbone interact. energy: -0.002
local terms energy: -75.943679
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -206.732710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.732710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.732710 (E_RNA)
where:
Base-Base interactions energy: -130.297
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.009
local terms energy: -76.426776
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -210.275366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.275366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.275366 (E_RNA)
where:
Base-Base interactions energy: -135.270
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.001
local terms energy: -75.004568
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -175.522094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.522094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.522094 (E_RNA)
where:
Base-Base interactions energy: -110.868
where: short stacking energy: -51.314
Base-Backbone interact. energy: -0.558
local terms energy: -64.095650
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -5.437
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: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -87.710172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710172 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -29.897
Base-Backbone interact. energy: -0.001
local terms energy: -56.984849
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -83.645877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645877 (E_RNA)
where:
Base-Base interactions energy: -35.226
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.055
local terms energy: -48.365016
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -89.334306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.334306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.334306 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.104
local terms energy: -55.835913
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -71.622148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.622148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.622148 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.758
local terms energy: -41.461042
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -233.449597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.449597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.449597 (E_RNA)
where:
Base-Base interactions energy: -155.650
where: short stacking energy: -71.411
Base-Backbone interact. energy: -0.499
local terms energy: -77.299991
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -24.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -226.200342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.200342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.200342 (E_RNA)
where:
Base-Base interactions energy: -151.318
where: short stacking energy: -73.255
Base-Backbone interact. energy: -0.013
local terms energy: -74.869266
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -228.207431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.207431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.207431 (E_RNA)
where:
Base-Base interactions energy: -148.649
where: short stacking energy: -72.485
Base-Backbone interact. energy: -0.102
local terms energy: -79.456553
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -226.164267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.164267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.164267 (E_RNA)
where:
Base-Base interactions energy: -154.681
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.001
local terms energy: -71.482405
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -10.848
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: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -190.233801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.233801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.233801 (E_RNA)
where:
Base-Base interactions energy: -121.902
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.002
local terms energy: -68.330177
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -163.779229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.779229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.779229 (E_RNA)
where:
Base-Base interactions energy: -102.170
where: short stacking energy: -42.964
Base-Backbone interact. energy: -0.705
local terms energy: -60.904552
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -88.050100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.050100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.050100 (E_RNA)
where:
Base-Base interactions energy: -28.708
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.102
local terms energy: -59.240191
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -6.029
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: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -85.028415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028415 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -35.959
Base-Backbone interact. energy: -0.005
local terms energy: -49.064154
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: 0.603
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: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -78.278409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.278409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.278409 (E_RNA)
where:
Base-Base interactions energy: -24.795
where: short stacking energy: -24.795
Base-Backbone interact. energy: -0.004
local terms energy: -53.478814
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -5.723
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: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -75.301532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.301532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.301532 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.021
local terms energy: -42.225902
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -236.301233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.301233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.301233 (E_RNA)
where:
Base-Base interactions energy: -159.627
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.467
local terms energy: -76.207410
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -21.670
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: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -230.109634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.109634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.109634 (E_RNA)
where:
Base-Base interactions energy: -153.311
where: short stacking energy: -75.129
Base-Backbone interact. energy: 0.783
local terms energy: -77.581192
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -20.564
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: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -222.756089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.756089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.756089 (E_RNA)
where:
Base-Base interactions energy: -145.689
where: short stacking energy: -75.416
Base-Backbone interact. energy: -0.014
local terms energy: -77.053017
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -212.762817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.762817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.762817 (E_RNA)
where:
Base-Base interactions energy: -145.125
where: short stacking energy: -70.054
Base-Backbone interact. energy: -0.009
local terms energy: -67.629141
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -169.040550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.040550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.040550 (E_RNA)
where:
Base-Base interactions energy: -98.906
where: short stacking energy: -43.944
Base-Backbone interact. energy: -0.116
local terms energy: -70.018282
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -172.831153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.831153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.831153 (E_RNA)
where:
Base-Base interactions energy: -105.863
where: short stacking energy: -50.155
Base-Backbone interact. energy: -0.253
local terms energy: -66.715287
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -6.452
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: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -89.660904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.660904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.660904 (E_RNA)
where:
Base-Base interactions energy: -34.606
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.145
local terms energy: -54.909599
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -81.686606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686606 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.397
local terms energy: -42.742977
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -77.079421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.079421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.079421 (E_RNA)
where:
Base-Base interactions energy: -23.314
where: short stacking energy: -23.514
Base-Backbone interact. energy: 0.320
local terms energy: -54.084787
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -72.342533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.342533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.342533 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -22.579
Base-Backbone interact. energy: -0.218
local terms energy: -44.250887
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -231.920420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.920420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.920420 (E_RNA)
where:
Base-Base interactions energy: -153.233
where: short stacking energy: -68.536
Base-Backbone interact. energy: -0.026
local terms energy: -78.660927
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -228.046797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.046797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.046797 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.084
local terms energy: -77.936806
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -12.758
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: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -232.405870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.405870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.405870 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -74.159
Base-Backbone interact. energy: -0.204
local terms energy: -79.677976
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -173.772928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.772928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.772928 (E_RNA)
where:
Base-Base interactions energy: -105.118
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.281
local terms energy: -68.373770
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -195.777001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.777001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.777001 (E_RNA)
where:
Base-Base interactions energy: -122.631
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.176
local terms energy: -72.970446
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -182.645264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.645264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.645264 (E_RNA)
where:
Base-Base interactions energy: -127.698
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.103
local terms energy: -54.844424
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -2.223
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -90.187726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.187726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.187726 (E_RNA)
where:
Base-Base interactions energy: -40.571
where: short stacking energy: -40.281
Base-Backbone interact. energy: -0.141
local terms energy: -49.475635
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -90.429592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.429592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.429592 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -13.437
Base-Backbone interact. energy: -0.638
local terms energy: -57.083445
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -3.297
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: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -110.526475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.526475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.526475 (E_RNA)
where:
Base-Base interactions energy: -66.386
where: short stacking energy: -23.010
Base-Backbone interact. energy: -0.275
local terms energy: -43.865581
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -1.103
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -72.838447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.838447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.838447 (E_RNA)
where:
Base-Base interactions energy: -32.650
where: short stacking energy: -32.650
Base-Backbone interact. energy: -0.068
local terms energy: -40.120759
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -234.850568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.850568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.850568 (E_RNA)
where:
Base-Base interactions energy: -158.753
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.082
local terms energy: -76.014893
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -21.162
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: 212
Temperature: 0.950000
Total energy: -210.731879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.731879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.731879 (E_RNA)
where:
Base-Base interactions energy: -140.649
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.357
local terms energy: -69.726445
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.516
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: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -211.761696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.761696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.761696 (E_RNA)
where:
Base-Base interactions energy: -138.377
where: short stacking energy: -68.110
Base-Backbone interact. energy: -0.054
local terms energy: -73.330646
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -17.672
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -187.406417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.406417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.406417 (E_RNA)
where:
Base-Base interactions energy: -123.262
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.003
local terms energy: -64.141548
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -10.158
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: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -184.626177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.626177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626177 (E_RNA)
where:
Base-Base interactions energy: -121.676
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.358
local terms energy: -62.592495
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -191.037473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.037473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.037473 (E_RNA)
where:
Base-Base interactions energy: -126.917
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.095
local terms energy: -64.025969
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -96.311418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.311418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.311418 (E_RNA)
where:
Base-Base interactions energy: -37.644
where: short stacking energy: -37.644
Base-Backbone interact. energy: -0.752
local terms energy: -57.916321
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -7.208
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: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -79.183182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.183182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.183182 (E_RNA)
where:
Base-Base interactions energy: -37.694
where: short stacking energy: -25.279
Base-Backbone interact. energy: -0.129
local terms energy: -41.359972
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -114.880882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.880882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.880882 (E_RNA)
where:
Base-Base interactions energy: -63.486
where: short stacking energy: -28.822
Base-Backbone interact. energy: -1.118
local terms energy: -50.276806
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -8.782
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -75.185124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.185124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.185124 (E_RNA)
where:
Base-Base interactions energy: -24.337
where: short stacking energy: -23.196
Base-Backbone interact. energy: -0.099
local terms energy: -50.749683
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -7.398
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: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -238.822614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.822614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.822614 (E_RNA)
where:
Base-Base interactions energy: -161.048
where: short stacking energy: -76.113
Base-Backbone interact. energy: -0.033
local terms energy: -77.742029
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -215.612364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612364 (E_RNA)
where:
Base-Base interactions energy: -142.500
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.285
local terms energy: -72.827325
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -214.364189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.364189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.364189 (E_RNA)
where:
Base-Base interactions energy: -141.234
where: short stacking energy: -63.233
Base-Backbone interact. energy: -0.053
local terms energy: -73.077110
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -205.329515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.329515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.329515 (E_RNA)
where:
Base-Base interactions energy: -133.421
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.107
local terms energy: -71.801252
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -172.360149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.360149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.360149 (E_RNA)
where:
Base-Base interactions energy: -111.714
where: short stacking energy: -51.613
Base-Backbone interact. energy: -0.814
local terms energy: -59.832519
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -2.431
tors. eta vs tors. theta energy: -14.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -185.449247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.449247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.449247 (E_RNA)
where:
Base-Base interactions energy: -118.395
where: short stacking energy: -62.999
Base-Backbone interact. energy: -0.000
local terms energy: -67.053646
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -97.051314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.051314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.051314 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -33.435
Base-Backbone interact. energy: -0.096
local terms energy: -59.703351
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -8.187
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: 213
Temperature: 1.250000
Total energy: -84.026354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.026354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.026354 (E_RNA)
where:
Base-Base interactions energy: -28.137
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.089
local terms energy: -55.801089
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -79.144942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.144942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.144942 (E_RNA)
where:
Base-Base interactions energy: -31.487
where: short stacking energy: -22.148
Base-Backbone interact. energy: 0.982
local terms energy: -48.640099
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -80.204385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204385 (E_RNA)
where:
Base-Base interactions energy: -28.914
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.053
local terms energy: -51.237952
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -238.076223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.076223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.076223 (E_RNA)
where:
Base-Base interactions energy: -162.654
where: short stacking energy: -71.718
Base-Backbone interact. energy: -0.008
local terms energy: -75.414178
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -204.588648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.588648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.588648 (E_RNA)
where:
Base-Base interactions energy: -137.917
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.161
local terms energy: -66.510683
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -13.971
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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -213.184157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.184157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.184157 (E_RNA)
where:
Base-Base interactions energy: -147.349
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.001
local terms energy: -65.834164
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -7.404
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.336
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: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -190.039930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.039930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.039930 (E_RNA)
where:
Base-Base interactions energy: -114.717
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.007
local terms energy: -75.316549
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -222.464645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.464645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.464645 (E_RNA)
where:
Base-Base interactions energy: -148.174
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.000
local terms energy: -74.290205
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -21.166
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: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -168.232311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.232311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.232311 (E_RNA)
where:
Base-Base interactions energy: -105.536
where: short stacking energy: -42.820
Base-Backbone interact. energy: -0.732
local terms energy: -61.964076
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -92.192451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.192451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.192451 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -35.869
Base-Backbone interact. energy: 0.779
local terms energy: -57.102636
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -83.222111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.222111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.222111 (E_RNA)
where:
Base-Base interactions energy: -25.067
where: short stacking energy: -25.067
Base-Backbone interact. energy: -0.103
local terms energy: -58.051288
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -86.202931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.202931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.202931 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.062
local terms energy: -55.063832
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -68.707745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.707745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.707745 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -27.613
Base-Backbone interact. energy: -1.323
local terms energy: -37.237063
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -3.344
flat angles P-C4'-P energy: -2.975
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -238.900263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.900263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.900263 (E_RNA)
where:
Base-Base interactions energy: -159.645
where: short stacking energy: -80.574
Base-Backbone interact. energy: -0.044
local terms energy: -79.211591
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -20.464
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: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -201.179838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.179838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.179838 (E_RNA)
where:
Base-Base interactions energy: -132.436
where: short stacking energy: -69.465
Base-Backbone interact. energy: -0.288
local terms energy: -68.455875
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -18.347
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: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -212.689876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.689876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.689876 (E_RNA)
where:
Base-Base interactions energy: -141.530
where: short stacking energy: -78.113
Base-Backbone interact. energy: -0.051
local terms energy: -71.109016
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -23.366
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: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -224.883679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.883679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.883679 (E_RNA)
where:
Base-Base interactions energy: -153.874
where: short stacking energy: -75.676
Base-Backbone interact. energy: -0.003
local terms energy: -71.006957
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -207.451379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.451379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.451379 (E_RNA)
where:
Base-Base interactions energy: -133.232
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.059
local terms energy: -74.159772
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -184.791070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.791070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.791070 (E_RNA)
where:
Base-Base interactions energy: -117.861
where: short stacking energy: -52.241
Base-Backbone interact. energy: 0.951
local terms energy: -67.881228
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.010
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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -86.333411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.333411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.333411 (E_RNA)
where:
Base-Base interactions energy: -27.923
where: short stacking energy: -27.739
Base-Backbone interact. energy: 0.005
local terms energy: -58.416113
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -8.839
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: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -82.056225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.056225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.056225 (E_RNA)
where:
Base-Base interactions energy: -34.496
where: short stacking energy: -34.088
Base-Backbone interact. energy: -0.137
local terms energy: -47.422847
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -86.424814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.424814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.424814 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -34.169
Base-Backbone interact. energy: -0.061
local terms energy: -51.770111
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -7.877
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: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -84.888625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.888625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.888625 (E_RNA)
where:
Base-Base interactions energy: -41.695
where: short stacking energy: -16.579
Base-Backbone interact. energy: -1.021
local terms energy: -42.171895
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -12.156
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: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -209.922217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.922217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.922217 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -72.367
Base-Backbone interact. energy: -0.008
local terms energy: -74.181601
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -17.139
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: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -233.654039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.654039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.654039 (E_RNA)
where:
Base-Base interactions energy: -164.329
where: short stacking energy: -80.697
Base-Backbone interact. energy: -0.001
local terms energy: -69.324100
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -201.556621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.556621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.556621 (E_RNA)
where:
Base-Base interactions energy: -125.397
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.009
local terms energy: -76.150966
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -17.535
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: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -210.001682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001682 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -68.524
Base-Backbone interact. energy: -0.005
local terms energy: -63.829428
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -7.474
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -21.056
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: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -175.741076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.741076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.741076 (E_RNA)
where:
Base-Base interactions energy: -108.460
where: short stacking energy: -48.830
Base-Backbone interact. energy: -0.633
local terms energy: -66.648697
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -198.634410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.634410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.634410 (E_RNA)
where:
Base-Base interactions energy: -124.316
where: short stacking energy: -59.041
Base-Backbone interact. energy: -0.012
local terms energy: -74.306123
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -93.241817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.241817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.241817 (E_RNA)
where:
Base-Base interactions energy: -43.344
where: short stacking energy: -26.385
Base-Backbone interact. energy: -0.269
local terms energy: -49.628434
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -6.146
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: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -81.613550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.613550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.613550 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -37.383
Base-Backbone interact. energy: -0.009
local terms energy: -44.221835
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -2.570
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -84.251225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.251225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.251225 (E_RNA)
where:
Base-Base interactions energy: -31.101
where: short stacking energy: -25.899
Base-Backbone interact. energy: -0.745
local terms energy: -52.404481
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -73.690801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.690801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.690801 (E_RNA)
where:
Base-Base interactions energy: -27.424
where: short stacking energy: -27.424
Base-Backbone interact. energy: 1.809
local terms energy: -48.075716
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -234.010630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.010630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.010630 (E_RNA)
where:
Base-Base interactions energy: -157.423
where: short stacking energy: -77.988
Base-Backbone interact. energy: -0.038
local terms energy: -76.549728
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -235.688124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.688124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.688124 (E_RNA)
where:
Base-Base interactions energy: -162.261
where: short stacking energy: -74.540
Base-Backbone interact. energy: -0.068
local terms energy: -73.358891
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -19.536
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: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -205.529293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.529293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.529293 (E_RNA)
where:
Base-Base interactions energy: -133.261
where: short stacking energy: -58.820
Base-Backbone interact. energy: -0.073
local terms energy: -72.195321
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -197.525165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.525165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.525165 (E_RNA)
where:
Base-Base interactions energy: -130.780
where: short stacking energy: -54.243
Base-Backbone interact. energy: 0.921
local terms energy: -67.665932
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -11.919
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: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -176.960398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.960398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.960398 (E_RNA)
where:
Base-Base interactions energy: -101.098
where: short stacking energy: -51.739
Base-Backbone interact. energy: -1.197
local terms energy: -74.665292
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -12.371
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: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -196.521155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.521155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.521155 (E_RNA)
where:
Base-Base interactions energy: -120.485
where: short stacking energy: -54.912
Base-Backbone interact. energy: -0.100
local terms energy: -75.936560
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -86.896520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.896520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.896520 (E_RNA)
where:
Base-Base interactions energy: -35.838
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.555
local terms energy: -50.502789
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -6.549
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: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -78.906663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.906663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.906663 (E_RNA)
where:
Base-Base interactions energy: -28.783
where: short stacking energy: -28.783
Base-Backbone interact. energy: -0.048
local terms energy: -50.074776
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -80.576495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.576495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.576495 (E_RNA)
where:
Base-Base interactions energy: -24.160
where: short stacking energy: -23.407
Base-Backbone interact. energy: -0.106
local terms energy: -56.309883
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -89.226172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.226172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.226172 (E_RNA)
where:
Base-Base interactions energy: -39.953
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.301
local terms energy: -48.972310
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -7.697
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -7.171
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: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -240.385024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.385024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.385024 (E_RNA)
where:
Base-Base interactions energy: -160.741
where: short stacking energy: -75.107
Base-Backbone interact. energy: -0.197
local terms energy: -79.447724
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -228.853029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.853029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.853029 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.295
local terms energy: -77.059875
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -215.526056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.526056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.526056 (E_RNA)
where:
Base-Base interactions energy: -139.305
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.042
local terms energy: -76.178770
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -197.657558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.657558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.657558 (E_RNA)
where:
Base-Base interactions energy: -125.151
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.121
local terms energy: -72.385155
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -199.202596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.202596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.202596 (E_RNA)
where:
Base-Base interactions energy: -125.373
where: short stacking energy: -55.045
Base-Backbone interact. energy: 0.624
local terms energy: -74.454109
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -177.736695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.736695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.736695 (E_RNA)
where:
Base-Base interactions energy: -111.425
where: short stacking energy: -53.223
Base-Backbone interact. energy: -0.233
local terms energy: -66.078304
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -7.283
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: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -94.815598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.815598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.815598 (E_RNA)
where:
Base-Base interactions energy: -44.802
where: short stacking energy: -29.237
Base-Backbone interact. energy: 4.292
local terms energy: -54.305435
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -88.099433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.099433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.099433 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.901
local terms energy: -49.928835
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -86.439942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.439942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.439942 (E_RNA)
where:
Base-Base interactions energy: -30.063
where: short stacking energy: -28.678
Base-Backbone interact. energy: -0.182
local terms energy: -56.194840
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -4.514
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: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -76.776757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.776757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.776757 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -26.895
Base-Backbone interact. energy: -0.145
local terms energy: -49.736007
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -233.665648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.665648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.665648 (E_RNA)
where:
Base-Base interactions energy: -157.086
where: short stacking energy: -71.817
Base-Backbone interact. energy: 0.006
local terms energy: -76.585823
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -235.526249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.526249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.526249 (E_RNA)
where:
Base-Base interactions energy: -162.080
where: short stacking energy: -76.099
Base-Backbone interact. energy: -0.003
local terms energy: -73.443273
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -207.470761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.470761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.470761 (E_RNA)
where:
Base-Base interactions energy: -140.341
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.014
local terms energy: -67.115624
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -207.459815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.459815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.459815 (E_RNA)
where:
Base-Base interactions energy: -134.003
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.185
local terms energy: -73.271191
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -18.632
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: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -182.076480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.076480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.076480 (E_RNA)
where:
Base-Base interactions energy: -111.255
where: short stacking energy: -54.912
Base-Backbone interact. energy: -0.037
local terms energy: -70.784504
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -169.706739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.706739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.706739 (E_RNA)
where:
Base-Base interactions energy: -111.474
where: short stacking energy: -44.339
Base-Backbone interact. energy: -0.252
local terms energy: -57.981411
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -11.470
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -93.464305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464305 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -32.484
Base-Backbone interact. energy: 0.206
local terms energy: -54.905707
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -11.382
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: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -91.592941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.592941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.592941 (E_RNA)
where:
Base-Base interactions energy: -42.055
where: short stacking energy: -24.308
Base-Backbone interact. energy: -0.337
local terms energy: -49.201242
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -1.159
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: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -75.238069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.238069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.238069 (E_RNA)
where:
Base-Base interactions energy: -29.132
where: short stacking energy: -24.566
Base-Backbone interact. energy: -0.907
local terms energy: -45.198612
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -6.165
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: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -90.572954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572954 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -25.783
Base-Backbone interact. energy: -0.712
local terms energy: -49.621228
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -4.453
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: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -233.833300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.833300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.833300 (E_RNA)
where:
Base-Base interactions energy: -154.300
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.240
local terms energy: -79.293734
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -22.664
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: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -233.623147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.623147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.623147 (E_RNA)
where:
Base-Base interactions energy: -156.425
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.004
local terms energy: -77.194401
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -230.436554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.436554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.436554 (E_RNA)
where:
Base-Base interactions energy: -156.178
where: short stacking energy: -74.720
Base-Backbone interact. energy: -0.000
local terms energy: -74.257882
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -204.976561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.976561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.976561 (E_RNA)
where:
Base-Base interactions energy: -129.821
where: short stacking energy: -68.201
Base-Backbone interact. energy: -0.010
local terms energy: -75.145589
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -20.183
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: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -184.413734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.413734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.413734 (E_RNA)
where:
Base-Base interactions energy: -123.023
where: short stacking energy: -54.891
Base-Backbone interact. energy: 0.099
local terms energy: -61.490024
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -202.593147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.593147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.593147 (E_RNA)
where:
Base-Base interactions energy: -127.566
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.477
local terms energy: -74.550301
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -100.501145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.501145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.501145 (E_RNA)
where:
Base-Base interactions energy: -36.091
where: short stacking energy: -35.643
Base-Backbone interact. energy: -0.213
local terms energy: -64.196362
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -6.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -78.259161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259161 (E_RNA)
where:
Base-Base interactions energy: -25.940
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.139
local terms energy: -52.180157
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.299
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: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -82.643707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.643707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.643707 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.625
local terms energy: -48.578605
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -1.420
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -108.542316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.542316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.542316 (E_RNA)
where:
Base-Base interactions energy: -58.106
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.329
local terms energy: -50.107011
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -1.358
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -241.599426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.599426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.599426 (E_RNA)
where:
Base-Base interactions energy: -162.981
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.149
local terms energy: -78.469410
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -21.605
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: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -232.503408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.503408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.503408 (E_RNA)
where:
Base-Base interactions energy: -156.704
where: short stacking energy: -75.553
Base-Backbone interact. energy: -0.000
local terms energy: -75.798567
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -219.408396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408396 (E_RNA)
where:
Base-Base interactions energy: -153.687
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.605
local terms energy: -65.115764
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -199.670454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.670454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.670454 (E_RNA)
where:
Base-Base interactions energy: -133.353
where: short stacking energy: -60.625
Base-Backbone interact. energy: -0.005
local terms energy: -66.312287
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -14.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -193.031218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.031218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.031218 (E_RNA)
where:
Base-Base interactions energy: -121.268
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.061
local terms energy: -71.702852
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -11.029
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: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -176.053031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.053031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.053031 (E_RNA)
where:
Base-Base interactions energy: -108.279
where: short stacking energy: -52.072
Base-Backbone interact. energy: -0.056
local terms energy: -67.717847
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -91.746946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.746946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.746946 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -37.389
Base-Backbone interact. energy: -0.131
local terms energy: -54.227276
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -0.150
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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -82.670570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.670570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.670570 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -28.130
Base-Backbone interact. energy: 0.016
local terms energy: -53.108758
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -76.806543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.806543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.806543 (E_RNA)
where:
Base-Base interactions energy: -28.119
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.514
local terms energy: -48.173235
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -82.257203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.257203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.257203 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -27.226
Base-Backbone interact. energy: -0.100
local terms energy: -48.585054
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -231.291355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.291355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.291355 (E_RNA)
where:
Base-Base interactions energy: -153.554
where: short stacking energy: -71.541
Base-Backbone interact. energy: -0.282
local terms energy: -77.455777
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -230.515848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.515848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.515848 (E_RNA)
where:
Base-Base interactions energy: -152.452
where: short stacking energy: -79.057
Base-Backbone interact. energy: -0.085
local terms energy: -77.978945
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -221.695381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.695381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.695381 (E_RNA)
where:
Base-Base interactions energy: -155.190
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.619
local terms energy: -65.886234
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -19.800
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: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -202.365060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.365060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.365060 (E_RNA)
where:
Base-Base interactions energy: -128.170
where: short stacking energy: -62.048
Base-Backbone interact. energy: 0.345
local terms energy: -74.540241
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -192.354764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.354764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.354764 (E_RNA)
where:
Base-Base interactions energy: -127.338
where: short stacking energy: -56.300
Base-Backbone interact. energy: -0.145
local terms energy: -64.872450
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -11.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -157.457745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.457745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.457745 (E_RNA)
where:
Base-Base interactions energy: -106.447
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.352
local terms energy: -50.659153
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -83.810777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.810777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.810777 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.106
local terms energy: -54.617780
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -87.739869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739869 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.056
local terms energy: -57.070861
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -91.157167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.157167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.157167 (E_RNA)
where:
Base-Base interactions energy: -33.973
where: short stacking energy: -33.973
Base-Backbone interact. energy: -0.705
local terms energy: -56.478890
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -72.699937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.699937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.699937 (E_RNA)
where:
Base-Base interactions energy: -22.598
where: short stacking energy: -19.242
Base-Backbone interact. energy: -0.533
local terms energy: -49.569173
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -8.410
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: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -233.360504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.360504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.360504 (E_RNA)
where:
Base-Base interactions energy: -157.000
where: short stacking energy: -74.101
Base-Backbone interact. energy: -0.042
local terms energy: -76.318624
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -232.901364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.901364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.901364 (E_RNA)
where:
Base-Base interactions energy: -156.051
where: short stacking energy: -71.625
Base-Backbone interact. energy: 0.748
local terms energy: -77.598589
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.875
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: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -228.945047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.945047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.945047 (E_RNA)
where:
Base-Base interactions energy: -153.851
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.001
local terms energy: -75.092817
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -21.765
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: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -202.050451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.050451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.050451 (E_RNA)
where:
Base-Base interactions energy: -124.529
where: short stacking energy: -58.556
Base-Backbone interact. energy: -0.009
local terms energy: -77.512071
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -18.304
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: 223
Temperature: 1.100000
Total energy: -201.157443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.157443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.157443 (E_RNA)
where:
Base-Base interactions energy: -127.117
where: short stacking energy: -59.502
Base-Backbone interact. energy: -0.340
local terms energy: -73.700271
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -164.130086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.130086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.130086 (E_RNA)
where:
Base-Base interactions energy: -108.740
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.003
local terms energy: -55.387235
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.023
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: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -110.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.327223 (E_RNA)
where:
Base-Base interactions energy: -49.107
where: short stacking energy: -38.011
Base-Backbone interact. energy: -0.138
local terms energy: -61.082243
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -83.761934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.761934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.761934 (E_RNA)
where:
Base-Base interactions energy: -35.363
where: short stacking energy: -35.363
Base-Backbone interact. energy: -0.022
local terms energy: -48.376254
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -7.174
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -87.120325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120325 (E_RNA)
where:
Base-Base interactions energy: -36.677
where: short stacking energy: -36.677
Base-Backbone interact. energy: -0.047
local terms energy: -50.396479
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -72.903865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.903865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.903865 (E_RNA)
where:
Base-Base interactions energy: -26.547
where: short stacking energy: -18.321
Base-Backbone interact. energy: -0.146
local terms energy: -46.210737
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -245.007375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.007375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.007375 (E_RNA)
where:
Base-Base interactions energy: -162.641
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.000
local terms energy: -82.365627
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -23.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -211.925273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.925273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.925273 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -68.474
Base-Backbone interact. energy: -0.283
local terms energy: -72.379417
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -236.410937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.410937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.410937 (E_RNA)
where:
Base-Base interactions energy: -159.315
where: short stacking energy: -76.104
Base-Backbone interact. energy: -0.479
local terms energy: -76.617171
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -23.113
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: 224
Temperature: 1.050000
Total energy: -209.381863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.381863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.381863 (E_RNA)
where:
Base-Base interactions energy: -133.911
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.016
local terms energy: -75.455288
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -19.676
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: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -207.960512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.960512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.960512 (E_RNA)
where:
Base-Base interactions energy: -132.957
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.467
local terms energy: -74.536932
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -178.404525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.404525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.404525 (E_RNA)
where:
Base-Base interactions energy: -108.321
where: short stacking energy: -52.211
Base-Backbone interact. energy: -0.219
local terms energy: -69.864768
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.583
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -109.023281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.023281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.023281 (E_RNA)
where:
Base-Base interactions energy: -57.401
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.831
local terms energy: -50.791692
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -84.303554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.303554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.303554 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -25.694
Base-Backbone interact. energy: 1.730
local terms energy: -46.357676
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -78.002076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.002076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.002076 (E_RNA)
where:
Base-Base interactions energy: -28.843
where: short stacking energy: -24.151
Base-Backbone interact. energy: 2.091
local terms energy: -51.249736
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -75.716032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.716032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.716032 (E_RNA)
where:
Base-Base interactions energy: -30.390
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.016
local terms energy: -45.309972
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -241.901098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.901098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.901098 (E_RNA)
where:
Base-Base interactions energy: -167.927
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.000
local terms energy: -73.973544
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -19.764
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: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -231.091283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.091283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.091283 (E_RNA)
where:
Base-Base interactions energy: -154.898
where: short stacking energy: -74.432
Base-Backbone interact. energy: -0.002
local terms energy: -76.190907
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.977
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: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -201.246523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.246523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.246523 (E_RNA)
where:
Base-Base interactions energy: -134.010
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.566
local terms energy: -66.669685
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -12.392
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: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -210.218071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.218071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.218071 (E_RNA)
where:
Base-Base interactions energy: -134.334
where: short stacking energy: -68.079
Base-Backbone interact. energy: 0.781
local terms energy: -76.664832
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -20.630
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: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -183.641395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.641395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.641395 (E_RNA)
where:
Base-Base interactions energy: -124.416
where: short stacking energy: -54.754
Base-Backbone interact. energy: -0.124
local terms energy: -59.101423
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -5.474
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: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -199.863057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.863057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.863057 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -66.152
Base-Backbone interact. energy: 1.259
local terms energy: -71.343854
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -95.039353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.039353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.039353 (E_RNA)
where:
Base-Base interactions energy: -40.600
where: short stacking energy: -37.693
Base-Backbone interact. energy: -0.023
local terms energy: -54.416236
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -82.066290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.066290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.066290 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -22.516
Base-Backbone interact. energy: -0.167
local terms energy: -51.393121
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -93.974908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.974908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.974908 (E_RNA)
where:
Base-Base interactions energy: -37.974
where: short stacking energy: -36.699
Base-Backbone interact. energy: -0.184
local terms energy: -55.816908
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -84.150902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.150902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.150902 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -36.379
Base-Backbone interact. energy: -0.570
local terms energy: -47.302262
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -4.246
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: 10
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -235.252100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.252100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.252100 (E_RNA)
where:
Base-Base interactions energy: -153.944
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.269
local terms energy: -81.039549
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -229.701419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.701419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.701419 (E_RNA)
where:
Base-Base interactions energy: -150.183
where: short stacking energy: -72.455
Base-Backbone interact. energy: -0.002
local terms energy: -79.516399
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -210.719012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.719012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.719012 (E_RNA)
where:
Base-Base interactions energy: -134.036
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.001
local terms energy: -76.682425
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -207.607028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.607028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.607028 (E_RNA)
where:
Base-Base interactions energy: -140.477
where: short stacking energy: -68.777
Base-Backbone interact. energy: -0.059
local terms energy: -67.070603
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -183.912981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.912981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.912981 (E_RNA)
where:
Base-Base interactions energy: -116.538
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.239
local terms energy: -67.135253
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -18.481
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: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -202.568655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.568655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.568655 (E_RNA)
where:
Base-Base interactions energy: -128.700
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.060
local terms energy: -73.808716
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -121.666760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.666760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.666760 (E_RNA)
where:
Base-Base interactions energy: -71.845
where: short stacking energy: -43.090
Base-Backbone interact. energy: -0.255
local terms energy: -49.567138
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -9.621
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: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -100.367223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.367223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.367223 (E_RNA)
where:
Base-Base interactions energy: -49.540
where: short stacking energy: -22.801
Base-Backbone interact. energy: -0.112
local terms energy: -50.715377
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -7.653
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: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -75.209809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.209809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.209809 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -27.955
Base-Backbone interact. energy: 0.047
local terms energy: -47.301438
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -74.158514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.158514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.158514 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.044
local terms energy: -46.057653
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -8.026
flat angles P-C4'-P energy: -0.511
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -238.027943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.027943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.027943 (E_RNA)
where:
Base-Base interactions energy: -155.797
where: short stacking energy: -77.358
Base-Backbone interact. energy: -0.138
local terms energy: -82.092788
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -229.860291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.860291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.860291 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -72.971
Base-Backbone interact. energy: 0.501
local terms energy: -76.285840
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -204.867860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.867860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.867860 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.103
local terms energy: -78.910404
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -21.268
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: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -222.515255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.515255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.515255 (E_RNA)
where:
Base-Base interactions energy: -146.589
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.001
local terms energy: -75.925518
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -13.047
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: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -200.486906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.486906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.486906 (E_RNA)
where:
Base-Base interactions energy: -125.503
where: short stacking energy: -64.922
Base-Backbone interact. energy: -0.574
local terms energy: -74.409050
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -177.276302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.276302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.276302 (E_RNA)
where:
Base-Base interactions energy: -110.951
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.007
local terms energy: -66.318245
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -122.626536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.626536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.626536 (E_RNA)
where:
Base-Base interactions energy: -70.589
where: short stacking energy: -36.439
Base-Backbone interact. energy: -0.761
local terms energy: -51.276211
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.797
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: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -82.266650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.266650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.266650 (E_RNA)
where:
Base-Base interactions energy: -31.939
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.807
local terms energy: -49.520919
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -81.672339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672339 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.197
local terms energy: -47.016407
where:
bonds (distance) C4'-P energy: -4.340
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -3.657
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: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -75.185827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.185827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.185827 (E_RNA)
where:
Base-Base interactions energy: -25.036
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.077
local terms energy: -50.072561
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -6.979
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -6.952
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: 228
Temperature: 0.900000
Total energy: -235.347136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.347136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.347136 (E_RNA)
where:
Base-Base interactions energy: -153.299
where: short stacking energy: -76.258
Base-Backbone interact. energy: -0.002
local terms energy: -82.047026
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.982
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: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -239.261252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.261252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.261252 (E_RNA)
where:
Base-Base interactions energy: -152.161
where: short stacking energy: -75.373
Base-Backbone interact. energy: 1.614
local terms energy: -88.714329
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -226.911076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.911076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.911076 (E_RNA)
where:
Base-Base interactions energy: -152.588
where: short stacking energy: -70.414
Base-Backbone interact. energy: -0.002
local terms energy: -74.320270
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -199.894077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.894077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.894077 (E_RNA)
where:
Base-Base interactions energy: -132.192
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.002
local terms energy: -67.700325
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -19.603
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: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -179.570613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.570613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.570613 (E_RNA)
where:
Base-Base interactions energy: -108.647
where: short stacking energy: -55.113
Base-Backbone interact. energy: -0.135
local terms energy: -70.788555
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -189.530398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.530398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.530398 (E_RNA)
where:
Base-Base interactions energy: -120.564
where: short stacking energy: -55.477
Base-Backbone interact. energy: -0.834
local terms energy: -68.132263
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -122.084825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.084825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.084825 (E_RNA)
where:
Base-Base interactions energy: -68.754
where: short stacking energy: -33.767
Base-Backbone interact. energy: 2.296
local terms energy: -55.626544
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -110.414249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.414249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.414249 (E_RNA)
where:
Base-Base interactions energy: -62.602
where: short stacking energy: -33.506
Base-Backbone interact. energy: -0.013
local terms energy: -47.798856
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -9.373
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -87.034403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.034403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.034403 (E_RNA)
where:
Base-Base interactions energy: -33.209
where: short stacking energy: -31.018
Base-Backbone interact. energy: -0.253
local terms energy: -53.572337
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -85.751720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.751720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.751720 (E_RNA)
where:
Base-Base interactions energy: -40.478
where: short stacking energy: -20.891
Base-Backbone interact. energy: -0.284
local terms energy: -44.990342
where:
bonds (distance) C4'-P energy: -3.466
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -6.422
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -236.486292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.486292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.486292 (E_RNA)
where:
Base-Base interactions energy: -154.163
where: short stacking energy: -73.299
Base-Backbone interact. energy: -0.034
local terms energy: -82.289183
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -20.274
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: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -231.169397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.169397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.169397 (E_RNA)
where:
Base-Base interactions energy: -155.680
where: short stacking energy: -77.474
Base-Backbone interact. energy: 0.958
local terms energy: -76.448346
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -217.724916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.724916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.724916 (E_RNA)
where:
Base-Base interactions energy: -144.565
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.044
local terms energy: -73.115955
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -203.548452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.548452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.548452 (E_RNA)
where:
Base-Base interactions energy: -126.285
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.001
local terms energy: -77.262066
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -178.009019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.009019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.009019 (E_RNA)
where:
Base-Base interactions energy: -110.771
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.410
local terms energy: -66.828113
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -187.924101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.924101 (E_RNA)
where:
Base-Base interactions energy: -123.192
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.001
local terms energy: -64.731348
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -8.637
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: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -89.713752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.713752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.713752 (E_RNA)
where:
Base-Base interactions energy: -35.850
where: short stacking energy: -21.754
Base-Backbone interact. energy: -0.154
local terms energy: -53.709143
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -3.336
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -93.341580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.341580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.341580 (E_RNA)
where:
Base-Base interactions energy: -36.000
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.160
local terms energy: -57.182030
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -3.331
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: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -83.750874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.750874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.750874 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -15.614
Base-Backbone interact. energy: -0.476
local terms energy: -44.937523
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: 4.198
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: 229
Temperature: 1.350000
Total energy: -82.586398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586398 (E_RNA)
where:
Base-Base interactions energy: -33.146
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.166
local terms energy: -49.274995
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -1.565
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: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -235.861606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.861606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.861606 (E_RNA)
where:
Base-Base interactions energy: -156.817
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.457
local terms energy: -78.587994
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -231.434926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.434926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.434926 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -75.866
Base-Backbone interact. energy: -0.001
local terms energy: -73.011691
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -19.321
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: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -202.346223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.346223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.346223 (E_RNA)
where:
Base-Base interactions energy: -125.043
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.007
local terms energy: -77.296465
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.424
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: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -220.642010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.642010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.642010 (E_RNA)
where:
Base-Base interactions energy: -148.178
where: short stacking energy: -69.916
Base-Backbone interact. energy: -0.012
local terms energy: -72.452105
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -166.184453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.184453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.184453 (E_RNA)
where:
Base-Base interactions energy: -107.502
where: short stacking energy: -52.284
Base-Backbone interact. energy: -0.499
local terms energy: -58.183754
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -10.030
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -169.578031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.578031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.578031 (E_RNA)
where:
Base-Base interactions energy: -106.292
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.195
local terms energy: -63.090981
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -88.849046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.849046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.849046 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -28.602
Base-Backbone interact. energy: -0.256
local terms energy: -51.190441
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -94.265589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265589 (E_RNA)
where:
Base-Base interactions energy: -49.717
where: short stacking energy: -23.368
Base-Backbone interact. energy: -0.375
local terms energy: -44.173601
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -72.856134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.856134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.856134 (E_RNA)
where:
Base-Base interactions energy: -24.407
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.239
local terms energy: -48.209807
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: 0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -77.249685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.249685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.249685 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.509
local terms energy: -38.048121
where:
bonds (distance) C4'-P energy: -7.282
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -239.415094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.415094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.415094 (E_RNA)
where:
Base-Base interactions energy: -159.511
where: short stacking energy: -77.689
Base-Backbone interact. energy: -0.378
local terms energy: -79.526300
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -10.442
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: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -215.072494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.072494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.072494 (E_RNA)
where:
Base-Base interactions energy: -138.811
where: short stacking energy: -68.198
Base-Backbone interact. energy: -0.268
local terms energy: -75.994140
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -230.671737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.671737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.671737 (E_RNA)
where:
Base-Base interactions energy: -151.536
where: short stacking energy: -69.021
Base-Backbone interact. energy: 0.144
local terms energy: -79.280260
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -222.745023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.745023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.745023 (E_RNA)
where:
Base-Base interactions energy: -145.179
where: short stacking energy: -64.569
Base-Backbone interact. energy: 0.119
local terms energy: -77.684394
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -194.750947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.750947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.750947 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -59.017
Base-Backbone interact. energy: -0.164
local terms energy: -70.087399
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -17.267
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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -177.740418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.740418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.740418 (E_RNA)
where:
Base-Base interactions energy: -108.341
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.002
local terms energy: -69.397766
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -18.969
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: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -96.668174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.668174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.668174 (E_RNA)
where:
Base-Base interactions energy: -48.132
where: short stacking energy: -29.428
Base-Backbone interact. energy: -0.118
local terms energy: -48.417409
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -1.852
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: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -96.789139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.789139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.789139 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -32.621
Base-Backbone interact. energy: -0.094
local terms energy: -43.295097
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -7.241
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: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -96.285817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.285817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.285817 (E_RNA)
where:
Base-Base interactions energy: -46.590
where: short stacking energy: -37.135
Base-Backbone interact. energy: -0.224
local terms energy: -49.472048
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -4.558
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: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -77.850752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.850752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.850752 (E_RNA)
where:
Base-Base interactions energy: -27.413
where: short stacking energy: -26.644
Base-Backbone interact. energy: -0.863
local terms energy: -49.574717
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -1.498
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -214.487487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.487487 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.288
local terms energy: -72.331131
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -230.246247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.246247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.246247 (E_RNA)
where:
Base-Base interactions energy: -154.105
where: short stacking energy: -72.635
Base-Backbone interact. energy: -0.169
local terms energy: -75.972386
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -22.437
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: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -220.310944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.310944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.310944 (E_RNA)
where:
Base-Base interactions energy: -146.911
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.290
local terms energy: -73.110525
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -208.340274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.340274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.340274 (E_RNA)
where:
Base-Base interactions energy: -129.004
where: short stacking energy: -63.677
Base-Backbone interact. energy: -0.023
local terms energy: -79.313042
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -20.687
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: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -193.299166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.299166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.299166 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.009
local terms energy: -69.155848
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -7.878
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: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -175.898168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.898168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.898168 (E_RNA)
where:
Base-Base interactions energy: -118.158
where: short stacking energy: -47.848
Base-Backbone interact. energy: -0.112
local terms energy: -57.628271
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -127.167157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.167157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.167157 (E_RNA)
where:
Base-Base interactions energy: -75.092
where: short stacking energy: -31.843
Base-Backbone interact. energy: -0.505
local terms energy: -51.569600
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -3.982
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: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -88.893423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.893423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.893423 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -40.323
Base-Backbone interact. energy: 0.855
local terms energy: -49.425765
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -83.701771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.701771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.701771 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -36.859
Base-Backbone interact. energy: -0.046
local terms energy: -46.417184
where:
bonds (distance) C4'-P energy: -6.381
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -78.589269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.589269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.589269 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -17.231
Base-Backbone interact. energy: -0.628
local terms energy: -43.840169
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: 1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -214.734765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.734765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.734765 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -74.807
Base-Backbone interact. energy: -0.008
local terms energy: -76.032470
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.349
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: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -232.724570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.724570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.724570 (E_RNA)
where:
Base-Base interactions energy: -151.684
where: short stacking energy: -72.551
Base-Backbone interact. energy: -0.482
local terms energy: -80.558427
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -23.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -233.225484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.225484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.225484 (E_RNA)
where:
Base-Base interactions energy: -156.938
where: short stacking energy: -76.836
Base-Backbone interact. energy: -0.001
local terms energy: -76.285808
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -10.724
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: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -220.591884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.591884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.591884 (E_RNA)
where:
Base-Base interactions energy: -145.924
where: short stacking energy: -69.768
Base-Backbone interact. energy: -0.001
local terms energy: -74.666809
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -188.643739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.643739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.643739 (E_RNA)
where:
Base-Base interactions energy: -117.293
where: short stacking energy: -59.896
Base-Backbone interact. energy: -0.717
local terms energy: -70.634284
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -6.818
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: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -181.280066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.280066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.280066 (E_RNA)
where:
Base-Base interactions energy: -118.289
where: short stacking energy: -51.865
Base-Backbone interact. energy: 0.116
local terms energy: -63.106708
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -16.565
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: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -85.350662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.350662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.350662 (E_RNA)
where:
Base-Base interactions energy: -24.953
where: short stacking energy: -24.953
Base-Backbone interact. energy: -0.190
local terms energy: -60.207403
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -86.918077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.918077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.918077 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.263
local terms energy: -49.765266
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -74.988794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.988794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.988794 (E_RNA)
where:
Base-Base interactions energy: -30.130
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.175
local terms energy: -44.684287
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -79.816053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.816053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.816053 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -27.991
Base-Backbone interact. energy: 2.452
local terms energy: -52.317865
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -229.518152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.518152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.518152 (E_RNA)
where:
Base-Base interactions energy: -157.502
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.007
local terms energy: -72.009043
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -12.604
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: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -221.096020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.096020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096020 (E_RNA)
where:
Base-Base interactions energy: -142.973
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.098
local terms energy: -78.025070
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -235.936013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.936013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.936013 (E_RNA)
where:
Base-Base interactions energy: -155.041
where: short stacking energy: -71.985
Base-Backbone interact. energy: -1.861
local terms energy: -79.034290
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -22.566
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -217.333355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.333355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.333355 (E_RNA)
where:
Base-Base interactions energy: -143.940
where: short stacking energy: -62.211
Base-Backbone interact. energy: -0.013
local terms energy: -73.380639
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -173.482705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.482705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.482705 (E_RNA)
where:
Base-Base interactions energy: -107.260
where: short stacking energy: -53.679
Base-Backbone interact. energy: -0.080
local terms energy: -66.142504
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -199.467366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.467366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.467366 (E_RNA)
where:
Base-Base interactions energy: -127.601
where: short stacking energy: -57.812
Base-Backbone interact. energy: -0.001
local terms energy: -71.864899
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -11.351
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: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -91.296181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296181 (E_RNA)
where:
Base-Base interactions energy: -39.662
where: short stacking energy: -34.809
Base-Backbone interact. energy: -0.198
local terms energy: -51.436407
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -91.823761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823761 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -32.719
Base-Backbone interact. energy: -0.078
local terms energy: -56.552887
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -82.158050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.158050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.158050 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -21.930
Base-Backbone interact. energy: 0.112
local terms energy: -51.028726
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -3.486
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: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -107.332332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.332332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.332332 (E_RNA)
where:
Base-Base interactions energy: -48.521
where: short stacking energy: -35.840
Base-Backbone interact. energy: -0.684
local terms energy: -58.127789
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -232.479217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.479217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.479217 (E_RNA)
where:
Base-Base interactions energy: -152.237
where: short stacking energy: -69.037
Base-Backbone interact. energy: -1.391
local terms energy: -78.850636
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.382
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: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -232.284121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.284121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.284121 (E_RNA)
where:
Base-Base interactions energy: -156.626
where: short stacking energy: -74.055
Base-Backbone interact. energy: 1.598
local terms energy: -77.256417
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -204.333405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.333405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.333405 (E_RNA)
where:
Base-Base interactions energy: -131.852
where: short stacking energy: -61.679
Base-Backbone interact. energy: 0.167
local terms energy: -72.648514
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -18.492
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: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -185.567982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.567982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.567982 (E_RNA)
where:
Base-Base interactions energy: -115.212
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.035
local terms energy: -70.320216
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -188.912081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.912081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.912081 (E_RNA)
where:
Base-Base interactions energy: -118.169
where: short stacking energy: -51.654
Base-Backbone interact. energy: -0.113
local terms energy: -70.630568
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -172.400288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.400288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.400288 (E_RNA)
where:
Base-Base interactions energy: -107.369
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.194
local terms energy: -64.837223
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -8.708
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: 235
Temperature: 1.200000
Total energy: -90.134688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.134688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.134688 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -38.244
Base-Backbone interact. energy: 0.659
local terms energy: -52.549847
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -3.409
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: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -81.788128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.788128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.788128 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.112
local terms energy: -45.719718
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -1.764
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -84.779495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.779495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.779495 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -26.471
Base-Backbone interact. energy: -0.153
local terms energy: -50.635263
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.573418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573418 (E_RNA)
where:
Base-Base interactions energy: -22.778
where: short stacking energy: -22.638
Base-Backbone interact. energy: -0.056
local terms energy: -57.739234
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -233.616681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.616681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.616681 (E_RNA)
where:
Base-Base interactions energy: -147.135
where: short stacking energy: -77.814
Base-Backbone interact. energy: -0.052
local terms energy: -86.428825
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -233.001242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.001242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.001242 (E_RNA)
where:
Base-Base interactions energy: -151.201
where: short stacking energy: -76.265
Base-Backbone interact. energy: -0.002
local terms energy: -81.798701
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -208.938568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938568 (E_RNA)
where:
Base-Base interactions energy: -131.048
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.782
local terms energy: -77.108835
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -201.693755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.693755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.693755 (E_RNA)
where:
Base-Base interactions energy: -134.230
where: short stacking energy: -54.659
Base-Backbone interact. energy: -0.109
local terms energy: -67.354579
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -6.854
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: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -192.337504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.337504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.337504 (E_RNA)
where:
Base-Base interactions energy: -119.897
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.006
local terms energy: -72.435121
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -16.807
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: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -170.741117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.741117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.741117 (E_RNA)
where:
Base-Base interactions energy: -110.206
where: short stacking energy: -49.400
Base-Backbone interact. energy: 0.524
local terms energy: -61.058751
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -84.821313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.821313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.821313 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -26.968
Base-Backbone interact. energy: 2.254
local terms energy: -49.955616
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -11.556
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: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -88.028960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.028960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.028960 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -22.190
Base-Backbone interact. energy: -0.081
local terms energy: -51.335018
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -75.721602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.721602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.721602 (E_RNA)
where:
Base-Base interactions energy: -27.566
where: short stacking energy: -25.655
Base-Backbone interact. energy: -0.047
local terms energy: -48.108966
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -8.369
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: 236
Temperature: 1.350000
Total energy: -74.867259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.867259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.867259 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -29.040
Base-Backbone interact. energy: 0.191
local terms energy: -39.576917
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -235.537589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.537589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.537589 (E_RNA)
where:
Base-Base interactions energy: -168.338
where: short stacking energy: -76.170
Base-Backbone interact. energy: -0.006
local terms energy: -67.194293
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -231.888448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.888448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.888448 (E_RNA)
where:
Base-Base interactions energy: -154.371
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.001
local terms energy: -77.516896
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -200.134573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.134573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.134573 (E_RNA)
where:
Base-Base interactions energy: -126.847
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.003
local terms energy: -73.284672
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -7.071
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: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -202.005556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.005556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.005556 (E_RNA)
where:
Base-Base interactions energy: -132.566
where: short stacking energy: -61.118
Base-Backbone interact. energy: -0.010
local terms energy: -69.429060
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -214.347474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.347474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.347474 (E_RNA)
where:
Base-Base interactions energy: -141.362
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.005
local terms energy: -72.980608
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -11.055
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -186.987696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.987696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.987696 (E_RNA)
where:
Base-Base interactions energy: -126.293
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.077
local terms energy: -60.617735
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -83.342827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.342827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.342827 (E_RNA)
where:
Base-Base interactions energy: -33.804
where: short stacking energy: -31.361
Base-Backbone interact. energy: -0.283
local terms energy: -49.255264
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -82.310728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.310728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.310728 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -26.606
Base-Backbone interact. energy: -0.470
local terms energy: -51.975978
where:
bonds (distance) C4'-P energy: -6.207
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -79.843626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.843626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.843626 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -22.296
Base-Backbone interact. energy: -0.228
local terms energy: -48.488015
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.150269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.150269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.150269 (E_RNA)
where:
Base-Base interactions energy: -27.663
where: short stacking energy: -27.663
Base-Backbone interact. energy: -0.068
local terms energy: -56.419491
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -12.344
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: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -234.163117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.163117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.163117 (E_RNA)
where:
Base-Base interactions energy: -157.225
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.003
local terms energy: -76.934744
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -215.807792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.807792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.807792 (E_RNA)
where:
Base-Base interactions energy: -133.939
where: short stacking energy: -68.199
Base-Backbone interact. energy: -0.002
local terms energy: -81.866615
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -21.180
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: 238
Temperature: 1.000000
Total energy: -206.794282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.794282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.794282 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.912
local terms energy: -74.623075
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -204.437462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.437462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.437462 (E_RNA)
where:
Base-Base interactions energy: -134.205
where: short stacking energy: -70.323
Base-Backbone interact. energy: -0.051
local terms energy: -70.181597
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.382
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: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -195.555999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.555999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.555999 (E_RNA)
where:
Base-Base interactions energy: -128.960
where: short stacking energy: -58.975
Base-Backbone interact. energy: -0.480
local terms energy: -66.115820
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.743
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: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -206.089590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.089590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.089590 (E_RNA)
where:
Base-Base interactions energy: -133.454
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.000
local terms energy: -72.635056
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -20.419
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: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -84.417751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417751 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.122
local terms energy: -50.115973
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -5.651
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: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -91.402547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.402547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.402547 (E_RNA)
where:
Base-Base interactions energy: -39.389
where: short stacking energy: -17.461
Base-Backbone interact. energy: -0.256
local terms energy: -51.757029
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -8.779
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: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -76.823652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.823652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.823652 (E_RNA)
where:
Base-Base interactions energy: -22.764
where: short stacking energy: -22.764
Base-Backbone interact. energy: -0.211
local terms energy: -53.848078
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -3.644
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -74.991288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.991288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.991288 (E_RNA)
where:
Base-Base interactions energy: -26.952
where: short stacking energy: -22.013
Base-Backbone interact. energy: -0.213
local terms energy: -47.826188
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -240.450531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.450531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.450531 (E_RNA)
where:
Base-Base interactions energy: -163.331
where: short stacking energy: -74.006
Base-Backbone interact. energy: -0.039
local terms energy: -77.080904
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -232.206756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.206756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.206756 (E_RNA)
where:
Base-Base interactions energy: -151.720
where: short stacking energy: -73.290
Base-Backbone interact. energy: -0.122
local terms energy: -80.364307
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -11.419
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: 239
Temperature: 1.000000
Total energy: -209.721242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.721242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.721242 (E_RNA)
where:
Base-Base interactions energy: -143.017
where: short stacking energy: -59.790
Base-Backbone interact. energy: -0.720
local terms energy: -65.984219
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -15.551
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: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -203.130271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.130271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.130271 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.007
local terms energy: -71.233623
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -20.343
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: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -199.955745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.955745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.955745 (E_RNA)
where:
Base-Base interactions energy: -131.544
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.157
local terms energy: -68.254032
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.964
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: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -193.415237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.415237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.415237 (E_RNA)
where:
Base-Base interactions energy: -131.797
where: short stacking energy: -64.228
Base-Backbone interact. energy: 0.087
local terms energy: -61.704457
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -7.952
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: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -92.817410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.817410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.817410 (E_RNA)
where:
Base-Base interactions energy: -37.096
where: short stacking energy: -37.096
Base-Backbone interact. energy: 0.182
local terms energy: -55.903065
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -95.139236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139236 (E_RNA)
where:
Base-Base interactions energy: -40.252
where: short stacking energy: -35.897
Base-Backbone interact. energy: -0.259
local terms energy: -54.628017
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -77.999338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999338 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -26.922
Base-Backbone interact. energy: -0.056
local terms energy: -51.021711
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: 2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -78.869947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.869947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.869947 (E_RNA)
where:
Base-Base interactions energy: -31.827
where: short stacking energy: -11.035
Base-Backbone interact. energy: 0.017
local terms energy: -47.059262
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -2.383
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: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -220.164690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.164690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.164690 (E_RNA)
where:
Base-Base interactions energy: -149.040
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.000
local terms energy: -71.124823
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -234.871177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.871177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.871177 (E_RNA)
where:
Base-Base interactions energy: -156.087
where: short stacking energy: -77.070
Base-Backbone interact. energy: -0.002
local terms energy: -78.782621
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -13.595
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: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -228.667197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.667197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.667197 (E_RNA)
where:
Base-Base interactions energy: -153.222
where: short stacking energy: -73.233
Base-Backbone interact. energy: 0.261
local terms energy: -75.705763
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -202.720730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.720730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.720730 (E_RNA)
where:
Base-Base interactions energy: -138.377
where: short stacking energy: -67.306
Base-Backbone interact. energy: 0.420
local terms energy: -64.763313
where:
bonds (distance) C4'-P energy: -7.522
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -18.090
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: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -196.818797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.818797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.818797 (E_RNA)
where:
Base-Base interactions energy: -126.164
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.003
local terms energy: -70.651709
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -203.266220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.266220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.266220 (E_RNA)
where:
Base-Base interactions energy: -132.084
where: short stacking energy: -64.908
Base-Backbone interact. energy: -0.011
local terms energy: -71.171894
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.446
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: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -92.429950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429950 (E_RNA)
where:
Base-Base interactions energy: -38.652
where: short stacking energy: -38.652
Base-Backbone interact. energy: -0.092
local terms energy: -53.686232
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -85.042547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.042547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.042547 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.276
local terms energy: -43.556801
where:
bonds (distance) C4'-P energy: -3.851
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -71.973684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.973684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.973684 (E_RNA)
where:
Base-Base interactions energy: -30.084
where: short stacking energy: -21.045
Base-Backbone interact. energy: -0.229
local terms energy: -41.661259
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: 3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -71.751896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.751896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.751896 (E_RNA)
where:
Base-Base interactions energy: -19.776
where: short stacking energy: -19.593
Base-Backbone interact. energy: -0.087
local terms energy: -51.888463
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -230.513458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.513458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.513458 (E_RNA)
where:
Base-Base interactions energy: -153.305
where: short stacking energy: -75.441
Base-Backbone interact. energy: -0.000
local terms energy: -77.208651
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -11.721
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: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -227.393765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.393765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.393765 (E_RNA)
where:
Base-Base interactions energy: -148.778
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.002
local terms energy: -78.613890
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.355
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: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -225.065752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.065752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.065752 (E_RNA)
where:
Base-Base interactions energy: -145.310
where: short stacking energy: -71.685
Base-Backbone interact. energy: -0.002
local terms energy: -79.753962
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -201.349303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.349303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.349303 (E_RNA)
where:
Base-Base interactions energy: -129.069
where: short stacking energy: -68.439
Base-Backbone interact. energy: -0.007
local terms energy: -72.273686
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -12.045
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: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -198.146768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.146768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.146768 (E_RNA)
where:
Base-Base interactions energy: -135.845
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.003
local terms energy: -62.298728
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -189.800283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.800283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.800283 (E_RNA)
where:
Base-Base interactions energy: -121.576
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.206
local terms energy: -68.018375
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -86.346116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.346116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.346116 (E_RNA)
where:
Base-Base interactions energy: -28.371
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.154
local terms energy: -57.820896
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -88.248286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.248286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.248286 (E_RNA)
where:
Base-Base interactions energy: -37.441
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.057
local terms energy: -50.750318
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -84.950170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.950170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.950170 (E_RNA)
where:
Base-Base interactions energy: -34.322
where: short stacking energy: -21.908
Base-Backbone interact. energy: -0.174
local terms energy: -50.453885
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -77.592118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.592118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.592118 (E_RNA)
where:
Base-Base interactions energy: -31.509
where: short stacking energy: -31.509
Base-Backbone interact. energy: 0.560
local terms energy: -46.643567
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -9.283
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: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -232.337225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.337225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.337225 (E_RNA)
where:
Base-Base interactions energy: -150.570
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.001
local terms energy: -81.765941
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -209.984621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.984621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.984621 (E_RNA)
where:
Base-Base interactions energy: -133.856
where: short stacking energy: -65.344
Base-Backbone interact. energy: -0.042
local terms energy: -76.086786
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -215.686542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.686542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.686542 (E_RNA)
where:
Base-Base interactions energy: -144.691
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.489
local terms energy: -70.506043
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -205.185988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.185988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.185988 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -64.465
Base-Backbone interact. energy: -0.044
local terms energy: -72.346201
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -221.775792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.775792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.775792 (E_RNA)
where:
Base-Base interactions energy: -150.144
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.001
local terms energy: -71.631347
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -181.332609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.332609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.332609 (E_RNA)
where:
Base-Base interactions energy: -128.151
where: short stacking energy: -46.138
Base-Backbone interact. energy: 0.590
local terms energy: -53.771219
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -9.803
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: 242
Temperature: 1.200000
Total energy: -117.381422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.381422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.381422 (E_RNA)
where:
Base-Base interactions energy: -57.305
where: short stacking energy: -30.720
Base-Backbone interact. energy: -0.134
local terms energy: -59.942248
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -12.986
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: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -84.240267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240267 (E_RNA)
where:
Base-Base interactions energy: -29.692
where: short stacking energy: -28.064
Base-Backbone interact. energy: -0.075
local terms energy: -54.473052
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -78.523636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.523636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.523636 (E_RNA)
where:
Base-Base interactions energy: -31.068
where: short stacking energy: -28.976
Base-Backbone interact. energy: -1.158
local terms energy: -46.297465
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -93.358923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.358923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.358923 (E_RNA)
where:
Base-Base interactions energy: -56.926
where: short stacking energy: -19.345
Base-Backbone interact. energy: -0.636
local terms energy: -35.796680
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -239.169780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.169780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.169780 (E_RNA)
where:
Base-Base interactions energy: -161.303
where: short stacking energy: -79.967
Base-Backbone interact. energy: -0.001
local terms energy: -77.866320
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -223.250878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.250878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.250878 (E_RNA)
where:
Base-Base interactions energy: -148.919
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.023
local terms energy: -74.309740
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -223.239825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.239825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.239825 (E_RNA)
where:
Base-Base interactions energy: -142.216
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.075
local terms energy: -80.948814
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -215.814765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.814765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.814765 (E_RNA)
where:
Base-Base interactions energy: -142.949
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.001
local terms energy: -72.865158
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -201.757466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.757466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.757466 (E_RNA)
where:
Base-Base interactions energy: -130.976
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.003
local terms energy: -70.778617
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -168.366543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.366543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.366543 (E_RNA)
where:
Base-Base interactions energy: -97.135
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.025
local terms energy: -71.206820
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -9.748
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: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -115.622450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.622450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.622450 (E_RNA)
where:
Base-Base interactions energy: -55.483
where: short stacking energy: -28.471
Base-Backbone interact. energy: 0.535
local terms energy: -60.674177
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -83.340448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.340448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.340448 (E_RNA)
where:
Base-Base interactions energy: -31.723
where: short stacking energy: -23.983
Base-Backbone interact. energy: -0.092
local terms energy: -51.525904
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -82.135871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.135871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.135871 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -33.246
Base-Backbone interact. energy: -0.073
local terms energy: -45.388035
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -77.905096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.905096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.905096 (E_RNA)
where:
Base-Base interactions energy: -37.273
where: short stacking energy: -32.292
Base-Backbone interact. energy: -0.275
local terms energy: -40.357290
where:
bonds (distance) C4'-P energy: -8.454
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -239.054770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.054770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.054770 (E_RNA)
where:
Base-Base interactions energy: -158.398
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.000
local terms energy: -80.656530
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -232.383870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.383870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.383870 (E_RNA)
where:
Base-Base interactions energy: -156.094
where: short stacking energy: -73.023
Base-Backbone interact. energy: -0.157
local terms energy: -76.132990
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -20.384
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: 244
Temperature: 1.000000
Total energy: -224.480633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.480633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.480633 (E_RNA)
where:
Base-Base interactions energy: -140.789
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.093
local terms energy: -83.599225
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -22.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -232.964281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.964281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.964281 (E_RNA)
where:
Base-Base interactions energy: -155.970
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.004
local terms energy: -76.989888
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -177.731053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.731053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.731053 (E_RNA)
where:
Base-Base interactions energy: -119.017
where: short stacking energy: -50.850
Base-Backbone interact. energy: -0.207
local terms energy: -58.506563
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -174.929248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.929248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.929248 (E_RNA)
where:
Base-Base interactions energy: -105.640
where: short stacking energy: -49.385
Base-Backbone interact. energy: -0.530
local terms energy: -68.758922
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -138.928824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.928824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.928824 (E_RNA)
where:
Base-Base interactions energy: -87.000
where: short stacking energy: -54.260
Base-Backbone interact. energy: -0.537
local terms energy: -51.391526
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -88.834313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834313 (E_RNA)
where:
Base-Base interactions energy: -41.757
where: short stacking energy: -33.275
Base-Backbone interact. energy: -0.203
local terms energy: -46.874348
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -7.980
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: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -88.682989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.682989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.682989 (E_RNA)
where:
Base-Base interactions energy: -35.327
where: short stacking energy: -26.063
Base-Backbone interact. energy: 0.631
local terms energy: -53.986260
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -76.384965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.384965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.384965 (E_RNA)
where:
Base-Base interactions energy: -28.070
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.010
local terms energy: -48.304893
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -233.373659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.373659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.373659 (E_RNA)
where:
Base-Base interactions energy: -152.474
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.004
local terms energy: -80.895489
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -22.262
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -227.709262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.709262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.709262 (E_RNA)
where:
Base-Base interactions energy: -148.579
where: short stacking energy: -64.080
Base-Backbone interact. energy: -0.114
local terms energy: -79.016252
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -217.771771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.771771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.771771 (E_RNA)
where:
Base-Base interactions energy: -140.874
where: short stacking energy: -73.667
Base-Backbone interact. energy: -0.002
local terms energy: -76.895692
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -19.762
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -200.708266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.708266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.708266 (E_RNA)
where:
Base-Base interactions energy: -133.336
where: short stacking energy: -68.116
Base-Backbone interact. energy: 1.000
local terms energy: -68.372287
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -198.479332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.479332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.479332 (E_RNA)
where:
Base-Base interactions energy: -135.968
where: short stacking energy: -62.696
Base-Backbone interact. energy: 0.340
local terms energy: -62.851206
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -13.364
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: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -135.828013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.828013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.828013 (E_RNA)
where:
Base-Base interactions energy: -79.895
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.231
local terms energy: -55.701296
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -10.138
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: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -172.988859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.988859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.988859 (E_RNA)
where:
Base-Base interactions energy: -110.574
where: short stacking energy: -52.456
Base-Backbone interact. energy: -0.004
local terms energy: -62.410833
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -94.082517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.082517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.082517 (E_RNA)
where:
Base-Base interactions energy: -42.345
where: short stacking energy: -23.731
Base-Backbone interact. energy: 0.052
local terms energy: -51.789612
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -77.914898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.914898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.914898 (E_RNA)
where:
Base-Base interactions energy: -31.484
where: short stacking energy: -21.507
Base-Backbone interact. energy: -0.733
local terms energy: -45.697489
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 1.125
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: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -74.199461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.199461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.199461 (E_RNA)
where:
Base-Base interactions energy: -29.327
where: short stacking energy: -22.306
Base-Backbone interact. energy: -0.380
local terms energy: -44.492024
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -237.950323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.950323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.950323 (E_RNA)
where:
Base-Base interactions energy: -160.846
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.285
local terms energy: -76.819546
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -9.326
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -12.943
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: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -222.553205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.553205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.553205 (E_RNA)
where:
Base-Base interactions energy: -144.500
where: short stacking energy: -72.756
Base-Backbone interact. energy: 0.109
local terms energy: -78.161857
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -211.957250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.957250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.957250 (E_RNA)
where:
Base-Base interactions energy: -138.284
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.000
local terms energy: -73.672412
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.352
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: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -195.391232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.391232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.391232 (E_RNA)
where:
Base-Base interactions energy: -126.744
where: short stacking energy: -60.406
Base-Backbone interact. energy: 1.248
local terms energy: -69.895079
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -173.516651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.516651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.516651 (E_RNA)
where:
Base-Base interactions energy: -116.323
where: short stacking energy: -41.007
Base-Backbone interact. energy: -0.498
local terms energy: -56.695547
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -10.279
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: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -133.691690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.691690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.691690 (E_RNA)
where:
Base-Base interactions energy: -71.938
where: short stacking energy: -35.459
Base-Backbone interact. energy: -1.175
local terms energy: -60.579129
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -8.360
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: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -167.438053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.438053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.438053 (E_RNA)
where:
Base-Base interactions energy: -107.919
where: short stacking energy: -46.555
Base-Backbone interact. energy: -0.041
local terms energy: -59.477767
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -13.187
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: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -92.055823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.055823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.055823 (E_RNA)
where:
Base-Base interactions energy: -44.437
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.150
local terms energy: -47.468215
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -6.532
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: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -96.367508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.367508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.367508 (E_RNA)
where:
Base-Base interactions energy: -50.474
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.099
local terms energy: -45.793860
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -82.240875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.240875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.240875 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -22.254
Base-Backbone interact. energy: -0.142
local terms energy: -47.901822
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -7.742
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: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -238.304330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.304330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.304330 (E_RNA)
where:
Base-Base interactions energy: -158.022
where: short stacking energy: -76.509
Base-Backbone interact. energy: -0.007
local terms energy: -80.276088
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -232.004864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.004864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.004864 (E_RNA)
where:
Base-Base interactions energy: -152.471
where: short stacking energy: -77.110
Base-Backbone interact. energy: 0.394
local terms energy: -79.928310
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -221.500669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.500669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.500669 (E_RNA)
where:
Base-Base interactions energy: -141.366
where: short stacking energy: -71.063
Base-Backbone interact. energy: -0.007
local terms energy: -80.127332
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -22.555
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: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -180.188422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.188422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.188422 (E_RNA)
where:
Base-Base interactions energy: -110.838
where: short stacking energy: -56.173
Base-Backbone interact. energy: -0.446
local terms energy: -68.904230
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -15.642
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: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -178.816671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.816671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.816671 (E_RNA)
where:
Base-Base interactions energy: -121.511
where: short stacking energy: -49.929
Base-Backbone interact. energy: -0.158
local terms energy: -57.147147
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -7.923
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: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -194.848631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.848631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.848631 (E_RNA)
where:
Base-Base interactions energy: -120.835
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.010
local terms energy: -74.003729
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -145.295866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.295866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.295866 (E_RNA)
where:
Base-Base interactions energy: -87.188
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.191
local terms energy: -57.916481
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -8.492
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -113.550449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.550449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.550449 (E_RNA)
where:
Base-Base interactions energy: -62.612
where: short stacking energy: -34.422
Base-Backbone interact. energy: -0.162
local terms energy: -50.776356
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -81.517440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.517440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.517440 (E_RNA)
where:
Base-Base interactions energy: -32.974
where: short stacking energy: -13.904
Base-Backbone interact. energy: 0.964
local terms energy: -49.507912
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -0.915
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: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -75.378448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.378448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.378448 (E_RNA)
where:
Base-Base interactions energy: -29.113
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.031
local terms energy: -46.234145
where:
bonds (distance) C4'-P energy: -5.906
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.655
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: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -234.244404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.244404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.244404 (E_RNA)
where:
Base-Base interactions energy: -157.596
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.001
local terms energy: -76.648080
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.754
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -235.808615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.808615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.808615 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -71.910
Base-Backbone interact. energy: -0.138
local terms energy: -80.305263
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -19.392
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: 248
Temperature: 1.000000
Total energy: -219.138361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.138361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.138361 (E_RNA)
where:
Base-Base interactions energy: -147.766
where: short stacking energy: -70.951
Base-Backbone interact. energy: 0.231
local terms energy: -71.602606
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -177.035347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.035347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.035347 (E_RNA)
where:
Base-Base interactions energy: -107.329
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.004
local terms energy: -69.701952
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -199.179063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.179063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.179063 (E_RNA)
where:
Base-Base interactions energy: -123.000
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.137
local terms energy: -76.042401
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -18.422
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: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -165.061784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.061784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.061784 (E_RNA)
where:
Base-Base interactions energy: -106.449
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.124
local terms energy: -58.488582
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -10.941
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: 248
Temperature: 1.200000
Total energy: -151.509742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.509742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.509742 (E_RNA)
where:
Base-Base interactions energy: -94.125
where: short stacking energy: -43.521
Base-Backbone interact. energy: -0.229
local terms energy: -57.155645
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -81.978472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978472 (E_RNA)
where:
Base-Base interactions energy: -45.726
where: short stacking energy: -35.097
Base-Backbone interact. energy: -0.227
local terms energy: -36.025513
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: 2.895
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: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -82.473581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.473581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.473581 (E_RNA)
where:
Base-Base interactions energy: -31.919
where: short stacking energy: -31.169
Base-Backbone interact. energy: -0.081
local terms energy: -50.473829
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -6.448
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -77.631588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.631588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.631588 (E_RNA)
where:
Base-Base interactions energy: -31.987
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.014
local terms energy: -45.630783
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -5.660
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: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -235.624310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.624310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.624310 (E_RNA)
where:
Base-Base interactions energy: -156.449
where: short stacking energy: -76.427
Base-Backbone interact. energy: -0.001
local terms energy: -79.174074
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -223.898515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.898515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.898515 (E_RNA)
where:
Base-Base interactions energy: -151.770
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.538
local terms energy: -71.590656
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -16.456
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: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -226.355666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.355666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.355666 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.097
local terms energy: -72.101487
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -11.803
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: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -175.586220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.586220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.586220 (E_RNA)
where:
Base-Base interactions energy: -106.191
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.436
local terms energy: -68.959736
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -174.058205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.058205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.058205 (E_RNA)
where:
Base-Base interactions energy: -110.819
where: short stacking energy: -54.610
Base-Backbone interact. energy: -0.100
local terms energy: -63.138930
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -153.503555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.503555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.503555 (E_RNA)
where:
Base-Base interactions energy: -91.175
where: short stacking energy: -47.736
Base-Backbone interact. energy: -0.519
local terms energy: -61.810116
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.020
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: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -178.381614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.381614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.381614 (E_RNA)
where:
Base-Base interactions energy: -115.750
where: short stacking energy: -54.613
Base-Backbone interact. energy: -0.674
local terms energy: -61.957533
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -81.461523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.461523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.461523 (E_RNA)
where:
Base-Base interactions energy: -23.776
where: short stacking energy: -23.776
Base-Backbone interact. energy: -0.183
local terms energy: -57.502567
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.569
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: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -83.166745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.166745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.166745 (E_RNA)
where:
Base-Base interactions energy: -29.923
where: short stacking energy: -26.775
Base-Backbone interact. energy: -0.285
local terms energy: -52.958995
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -78.377466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.377466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.377466 (E_RNA)
where:
Base-Base interactions energy: -40.365
where: short stacking energy: -30.023
Base-Backbone interact. energy: -0.063
local terms energy: -37.948836
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -0.371
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -228.202640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.202640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.202640 (E_RNA)
where:
Base-Base interactions energy: -146.449
where: short stacking energy: -72.409
Base-Backbone interact. energy: -0.072
local terms energy: -81.681612
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -13.209
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: 250
Temperature: 0.950000
Total energy: -223.412566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.412566 (E_RNA)
where:
Base-Base interactions energy: -137.743
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.042
local terms energy: -85.627065
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -209.244979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.244979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.244979 (E_RNA)
where:
Base-Base interactions energy: -136.854
where: short stacking energy: -67.927
Base-Backbone interact. energy: -0.104
local terms energy: -72.287544
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -172.000436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.000436 (E_RNA)
where:
Base-Base interactions energy: -100.931
where: short stacking energy: -45.948
Base-Backbone interact. energy: 0.909
local terms energy: -71.978074
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -8.124
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: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -189.256923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.256923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.256923 (E_RNA)
where:
Base-Base interactions energy: -118.056
where: short stacking energy: -58.223
Base-Backbone interact. energy: -0.011
local terms energy: -71.189499
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.842
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: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -158.231792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.231792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.231792 (E_RNA)
where:
Base-Base interactions energy: -88.686
where: short stacking energy: -43.934
Base-Backbone interact. energy: -0.004
local terms energy: -69.542421
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -187.325501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.325501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.325501 (E_RNA)
where:
Base-Base interactions energy: -116.569
where: short stacking energy: -55.334
Base-Backbone interact. energy: -0.003
local terms energy: -70.753478
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -96.093852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.093852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.093852 (E_RNA)
where:
Base-Base interactions energy: -34.954
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.129
local terms energy: -61.010844
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -13.765
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -82.626153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.626153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.626153 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -22.894
Base-Backbone interact. energy: -0.080
local terms energy: -47.859043
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -78.415335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.415335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.415335 (E_RNA)
where:
Base-Base interactions energy: -23.422
where: short stacking energy: -23.422
Base-Backbone interact. energy: -0.028
local terms energy: -54.965296
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -245.616336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.616336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.616336 (E_RNA)
where:
Base-Base interactions energy: -162.214
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.041
local terms energy: -83.360639
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -22.575
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: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -237.635301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.635301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.635301 (E_RNA)
where:
Base-Base interactions energy: -158.623
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.243
local terms energy: -78.770070
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -221.076455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.076455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.076455 (E_RNA)
where:
Base-Base interactions energy: -140.736
where: short stacking energy: -75.590
Base-Backbone interact. energy: -0.003
local terms energy: -80.337838
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -13.926
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: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -209.806961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.806961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.806961 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -63.210
Base-Backbone interact. energy: 0.555
local terms energy: -65.039848
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -15.309
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: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -182.211565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.211565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.211565 (E_RNA)
where:
Base-Base interactions energy: -117.500
where: short stacking energy: -60.483
Base-Backbone interact. energy: 0.507
local terms energy: -65.218192
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -201.125587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.125587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.125587 (E_RNA)
where:
Base-Base interactions energy: -125.296
where: short stacking energy: -64.215
Base-Backbone interact. energy: -0.045
local terms energy: -75.784759
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.780
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: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -146.590100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.590100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.590100 (E_RNA)
where:
Base-Base interactions energy: -84.904
where: short stacking energy: -40.395
Base-Backbone interact. energy: -0.016
local terms energy: -61.669869
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -4.408
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: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -80.342917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.342917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.342917 (E_RNA)
where:
Base-Base interactions energy: -23.201
where: short stacking energy: -23.201
Base-Backbone interact. energy: -0.634
local terms energy: -56.508404
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.623
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: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -80.939089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.939089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.939089 (E_RNA)
where:
Base-Base interactions energy: -32.137
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.043
local terms energy: -48.759091
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -71.043291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.043291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.043291 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -27.883
Base-Backbone interact. energy: -0.124
local terms energy: -41.781615
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -236.835960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.835960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.835960 (E_RNA)
where:
Base-Base interactions energy: -160.412
where: short stacking energy: -76.889
Base-Backbone interact. energy: -0.301
local terms energy: -76.123089
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -20.441
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: 252
Temperature: 0.950000
Total energy: -219.062918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.062918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.062918 (E_RNA)
where:
Base-Base interactions energy: -149.272
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.001
local terms energy: -69.790086
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.602
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: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -217.624647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.624647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.624647 (E_RNA)
where:
Base-Base interactions energy: -143.033
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.045
local terms energy: -74.546264
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.812
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: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -218.539435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.539435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.539435 (E_RNA)
where:
Base-Base interactions energy: -142.880
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.012
local terms energy: -75.646934
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -22.705
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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -200.250018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.250018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.250018 (E_RNA)
where:
Base-Base interactions energy: -125.441
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.742
local terms energy: -74.067363
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -172.790357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.790357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.790357 (E_RNA)
where:
Base-Base interactions energy: -107.204
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.025
local terms energy: -65.560796
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -16.688
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: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -140.235962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.235962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.235962 (E_RNA)
where:
Base-Base interactions energy: -89.056
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.097
local terms energy: -51.083502
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.117
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: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -104.273791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.273791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.273791 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -30.125
Base-Backbone interact. energy: 1.158
local terms energy: -64.593440
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -7.233
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: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -76.116283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.116283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.116283 (E_RNA)
where:
Base-Base interactions energy: -31.877
where: short stacking energy: -24.107
Base-Backbone interact. energy: -0.739
local terms energy: -43.500235
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -0.299
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -75.998678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.998678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.998678 (E_RNA)
where:
Base-Base interactions energy: -24.913
where: short stacking energy: -19.097
Base-Backbone interact. energy: -0.210
local terms energy: -50.875950
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -8.511
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: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -232.924317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.924317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.924317 (E_RNA)
where:
Base-Base interactions energy: -156.499
where: short stacking energy: -72.908
Base-Backbone interact. energy: -0.003
local terms energy: -76.421920
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -208.591557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.591557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.591557 (E_RNA)
where:
Base-Base interactions energy: -134.646
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.002
local terms energy: -73.943261
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -9.200
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: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -207.029168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.029168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.029168 (E_RNA)
where:
Base-Base interactions energy: -137.733
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.245
local terms energy: -69.051735
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -10.077
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: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -227.783838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.783838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.783838 (E_RNA)
where:
Base-Base interactions energy: -154.050
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.001
local terms energy: -73.733019
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -194.017299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.017299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.017299 (E_RNA)
where:
Base-Base interactions energy: -122.730
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.107
local terms energy: -71.180451
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -16.474
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: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -163.688335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.688335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.688335 (E_RNA)
where:
Base-Base interactions energy: -103.594
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.103
local terms energy: -59.991548
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -141.346336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.346336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.346336 (E_RNA)
where:
Base-Base interactions energy: -85.542
where: short stacking energy: -34.465
Base-Backbone interact. energy: -0.066
local terms energy: -55.738498
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -84.687939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687939 (E_RNA)
where:
Base-Base interactions energy: -37.064
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.674
local terms energy: -46.950272
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -2.404
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: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -88.050105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.050105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.050105 (E_RNA)
where:
Base-Base interactions energy: -39.360
where: short stacking energy: -22.837
Base-Backbone interact. energy: -0.181
local terms energy: -48.509012
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -5.560
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: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -87.924498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924498 (E_RNA)
where:
Base-Base interactions energy: -45.496
where: short stacking energy: -36.708
Base-Backbone interact. energy: -0.014
local terms energy: -42.414288
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -4.402
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -231.888150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.888150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.888150 (E_RNA)
where:
Base-Base interactions energy: -151.998
where: short stacking energy: -71.483
Base-Backbone interact. energy: 2.878
local terms energy: -82.768437
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -212.095888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.095888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.095888 (E_RNA)
where:
Base-Base interactions energy: -146.084
where: short stacking energy: -66.815
Base-Backbone interact. energy: -0.065
local terms energy: -65.946180
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -14.452
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: 254
Temperature: 1.000000
Total energy: -220.099994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.099994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.099994 (E_RNA)
where:
Base-Base interactions energy: -146.984
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.094
local terms energy: -73.021350
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -220.914252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.914252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.914252 (E_RNA)
where:
Base-Base interactions energy: -145.991
where: short stacking energy: -75.505
Base-Backbone interact. energy: -0.125
local terms energy: -74.798395
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -13.282
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: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -205.349543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.349543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.349543 (E_RNA)
where:
Base-Base interactions energy: -124.992
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.035
local terms energy: -80.322941
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.801
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: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -172.839942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.839942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.839942 (E_RNA)
where:
Base-Base interactions energy: -106.127
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.108
local terms energy: -66.605351
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -102.176098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.176098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.176098 (E_RNA)
where:
Base-Base interactions energy: -47.826
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.947
local terms energy: -53.403160
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -10.402
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: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -130.213145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.213145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.213145 (E_RNA)
where:
Base-Base interactions energy: -73.212
where: short stacking energy: -46.559
Base-Backbone interact. energy: -0.357
local terms energy: -56.643779
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -134.922127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.922127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.922127 (E_RNA)
where:
Base-Base interactions energy: -69.990
where: short stacking energy: -41.083
Base-Backbone interact. energy: 1.089
local terms energy: -66.021124
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -12.213
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: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -78.753153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.753153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.753153 (E_RNA)
where:
Base-Base interactions energy: -26.913
where: short stacking energy: -26.913
Base-Backbone interact. energy: -0.156
local terms energy: -51.683970
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -8.077
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -231.537292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.537292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.537292 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -74.094
Base-Backbone interact. energy: -0.002
local terms energy: -80.319276
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -21.448
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: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -228.604640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.604640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.604640 (E_RNA)
where:
Base-Base interactions energy: -156.445
where: short stacking energy: -60.940
Base-Backbone interact. energy: -0.168
local terms energy: -71.991653
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -205.071074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.071074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.071074 (E_RNA)
where:
Base-Base interactions energy: -137.117
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.100
local terms energy: -67.854012
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -176.885073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.885073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.885073 (E_RNA)
where:
Base-Base interactions energy: -113.370
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.091
local terms energy: -63.424474
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -8.062
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: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -187.230855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.230855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.230855 (E_RNA)
where:
Base-Base interactions energy: -114.802
where: short stacking energy: -51.462
Base-Backbone interact. energy: -0.022
local terms energy: -72.407680
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -8.046
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: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -156.539421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.539421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.539421 (E_RNA)
where:
Base-Base interactions energy: -89.379
where: short stacking energy: -46.726
Base-Backbone interact. energy: -0.001
local terms energy: -67.159220
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -92.302288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.302288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.302288 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -39.765
Base-Backbone interact. energy: 1.238
local terms energy: -53.775483
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.169
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: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -121.707921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.707921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.707921 (E_RNA)
where:
Base-Base interactions energy: -70.595
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.752
local terms energy: -50.360891
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -8.719
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -80.888494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.888494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.888494 (E_RNA)
where:
Base-Base interactions energy: -41.392
where: short stacking energy: -25.621
Base-Backbone interact. energy: -0.245
local terms energy: -39.252202
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -89.577032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.577032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.577032 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -19.144
Base-Backbone interact. energy: -0.310
local terms energy: -45.389039
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -231.284782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.284782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.284782 (E_RNA)
where:
Base-Base interactions energy: -153.076
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.116
local terms energy: -78.093215
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -230.863447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.863447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.863447 (E_RNA)
where:
Base-Base interactions energy: -152.929
where: short stacking energy: -70.771
Base-Backbone interact. energy: -0.139
local terms energy: -77.795526
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -199.869951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.869951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.869951 (E_RNA)
where:
Base-Base interactions energy: -128.106
where: short stacking energy: -52.771
Base-Backbone interact. energy: -0.301
local terms energy: -71.463074
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -170.921198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.921198 (E_RNA)
where:
Base-Base interactions energy: -106.606
where: short stacking energy: -55.150
Base-Backbone interact. energy: -0.066
local terms energy: -64.249165
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -12.591
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: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -200.038101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.038101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.038101 (E_RNA)
where:
Base-Base interactions energy: -130.258
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.439
local terms energy: -69.340537
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -7.436
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: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -128.456662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.456662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.456662 (E_RNA)
where:
Base-Base interactions energy: -69.182
where: short stacking energy: -38.053
Base-Backbone interact. energy: -0.393
local terms energy: -58.881416
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -6.589
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: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -86.975042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.975042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.975042 (E_RNA)
where:
Base-Base interactions energy: -29.410
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.280
local terms energy: -57.284739
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -79.884783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.884783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.884783 (E_RNA)
where:
Base-Base interactions energy: -27.463
where: short stacking energy: -25.730
Base-Backbone interact. energy: -0.259
local terms energy: -52.162315
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -7.466
flat angles P-C4'-P energy: -11.401
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: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -81.814665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814665 (E_RNA)
where:
Base-Base interactions energy: -31.985
where: short stacking energy: -28.520
Base-Backbone interact. energy: -0.744
local terms energy: -49.086073
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -2.482
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: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -75.800596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.800596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.800596 (E_RNA)
where:
Base-Base interactions energy: -20.683
where: short stacking energy: -20.452
Base-Backbone interact. energy: -0.257
local terms energy: -54.861033
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -230.957688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.957688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.957688 (E_RNA)
where:
Base-Base interactions energy: -162.109
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.468
local terms energy: -68.381019
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -228.934921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.934921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.934921 (E_RNA)
where:
Base-Base interactions energy: -156.108
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.004
local terms energy: -72.823569
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -19.646
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: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -197.906441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.906441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.906441 (E_RNA)
where:
Base-Base interactions energy: -129.324
where: short stacking energy: -61.490
Base-Backbone interact. energy: -0.018
local terms energy: -68.564587
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -216.925207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.925207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.925207 (E_RNA)
where:
Base-Base interactions energy: -139.254
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.002
local terms energy: -77.669040
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -175.777413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.777413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.777413 (E_RNA)
where:
Base-Base interactions energy: -110.418
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.033
local terms energy: -65.326709
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -114.103741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.103741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.103741 (E_RNA)
where:
Base-Base interactions energy: -66.955
where: short stacking energy: -36.867
Base-Backbone interact. energy: -0.303
local terms energy: -46.845390
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.155
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: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -96.279381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.279381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.279381 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.033
local terms energy: -55.881938
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -95.246818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.246818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.246818 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -35.325
Base-Backbone interact. energy: -0.141
local terms energy: -54.438213
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -82.666453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.666453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.666453 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -24.947
Base-Backbone interact. energy: -0.323
local terms energy: -56.934013
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -6.070
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: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -74.555309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.555309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.555309 (E_RNA)
where:
Base-Base interactions energy: -22.774
where: short stacking energy: -19.701
Base-Backbone interact. energy: -0.021
local terms energy: -51.760540
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -7.141
flat angles P-C4'-P energy: -11.780
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: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -231.869800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.869800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.869800 (E_RNA)
where:
Base-Base interactions energy: -157.421
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.302
local terms energy: -74.147298
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -16.517
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: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -227.819185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.819185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.819185 (E_RNA)
where:
Base-Base interactions energy: -153.870
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.369
local terms energy: -73.579533
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -224.544730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.544730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.544730 (E_RNA)
where:
Base-Base interactions energy: -147.972
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.005
local terms energy: -76.567161
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -184.626050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.626050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626050 (E_RNA)
where:
Base-Base interactions energy: -115.280
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.043
local terms energy: -69.303071
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -169.402688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.402688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.402688 (E_RNA)
where:
Base-Base interactions energy: -107.593
where: short stacking energy: -54.790
Base-Backbone interact. energy: -0.057
local terms energy: -61.752598
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -92.341903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.341903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.341903 (E_RNA)
where:
Base-Base interactions energy: -34.092
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.244
local terms energy: -58.005288
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -89.298447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.298447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.298447 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -31.992
Base-Backbone interact. energy: -0.117
local terms energy: -57.189287
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -90.261652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.261652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.261652 (E_RNA)
where:
Base-Base interactions energy: -51.061
where: short stacking energy: -30.965
Base-Backbone interact. energy: 1.295
local terms energy: -40.495432
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -92.003199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.003199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.003199 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -33.176
Base-Backbone interact. energy: 0.092
local terms energy: -57.579554
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -9.173
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: 258
Temperature: 1.350000
Total energy: -75.351362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.351362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.351362 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -23.653
Base-Backbone interact. energy: -0.024
local terms energy: -45.607433
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -226.356661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.356661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.356661 (E_RNA)
where:
Base-Base interactions energy: -150.067
where: short stacking energy: -62.223
Base-Backbone interact. energy: -0.197
local terms energy: -76.093226
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -18.284
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: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -229.882100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.882100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.882100 (E_RNA)
where:
Base-Base interactions energy: -148.326
where: short stacking energy: -71.906
Base-Backbone interact. energy: -0.281
local terms energy: -81.275932
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -12.100
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: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -227.056507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.056507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.056507 (E_RNA)
where:
Base-Base interactions energy: -151.940
where: short stacking energy: -73.533
Base-Backbone interact. energy: -0.127
local terms energy: -74.989507
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -213.802538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.802538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.802538 (E_RNA)
where:
Base-Base interactions energy: -142.851
where: short stacking energy: -66.288
Base-Backbone interact. energy: -0.050
local terms energy: -70.900902
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -178.099675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.099675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.099675 (E_RNA)
where:
Base-Base interactions energy: -113.391
where: short stacking energy: -48.643
Base-Backbone interact. energy: -0.125
local terms energy: -64.584536
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -9.744
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: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -93.875930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.875930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.875930 (E_RNA)
where:
Base-Base interactions energy: -38.753
where: short stacking energy: -38.753
Base-Backbone interact. energy: -0.032
local terms energy: -55.090448
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -97.736112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.736112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.736112 (E_RNA)
where:
Base-Base interactions energy: -38.083
where: short stacking energy: -36.809
Base-Backbone interact. energy: -0.020
local terms energy: -59.632776
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -109.589527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.589527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.589527 (E_RNA)
where:
Base-Base interactions energy: -61.028
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.392
local terms energy: -48.169481
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -81.914248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.914248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.914248 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -34.270
Base-Backbone interact. energy: 1.411
local terms energy: -49.054832
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -68.869164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.869164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.869164 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -23.417
Base-Backbone interact. energy: -0.243
local terms energy: -42.654192
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -237.318266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.318266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.318266 (E_RNA)
where:
Base-Base interactions energy: -159.804
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.110
local terms energy: -77.404753
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -233.237274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.237274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.237274 (E_RNA)
where:
Base-Base interactions energy: -159.488
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.231
local terms energy: -73.518614
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -18.984
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: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -225.041220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.041220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.041220 (E_RNA)
where:
Base-Base interactions energy: -150.397
where: short stacking energy: -67.862
Base-Backbone interact. energy: -0.627
local terms energy: -74.017228
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -209.882375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.882375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.882375 (E_RNA)
where:
Base-Base interactions energy: -146.413
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.140
local terms energy: -63.329528
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -196.788487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.788487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.788487 (E_RNA)
where:
Base-Base interactions energy: -126.626
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.133
local terms energy: -70.028900
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -92.552327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.552327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.552327 (E_RNA)
where:
Base-Base interactions energy: -36.758
where: short stacking energy: -36.758
Base-Backbone interact. energy: -0.015
local terms energy: -55.779248
where:
bonds (distance) C4'-P energy: -6.486
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -107.589709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.589709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.589709 (E_RNA)
where:
Base-Base interactions energy: -56.448
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.135
local terms energy: -51.006675
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -93.398419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.398419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.398419 (E_RNA)
where:
Base-Base interactions energy: -34.798
where: short stacking energy: -28.298
Base-Backbone interact. energy: -0.085
local terms energy: -58.514629
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -6.243
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: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -77.880338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.880338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.880338 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.098
local terms energy: -45.016160
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -76.787175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.787175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.787175 (E_RNA)
where:
Base-Base interactions energy: -27.133
where: short stacking energy: -27.133
Base-Backbone interact. energy: 0.279
local terms energy: -49.932887
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -231.171525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.171525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.171525 (E_RNA)
where:
Base-Base interactions energy: -156.580
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.011
local terms energy: -74.580687
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -238.144858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.144858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.144858 (E_RNA)
where:
Base-Base interactions energy: -161.694
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.260
local terms energy: -76.190673
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -224.669512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.669512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.669512 (E_RNA)
where:
Base-Base interactions energy: -152.286
where: short stacking energy: -74.299
Base-Backbone interact. energy: -0.484
local terms energy: -71.899297
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -207.013439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.013439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.013439 (E_RNA)
where:
Base-Base interactions energy: -138.734
where: short stacking energy: -54.562
Base-Backbone interact. energy: -1.069
local terms energy: -67.210115
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -9.678
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: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -199.600844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.600844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.600844 (E_RNA)
where:
Base-Base interactions energy: -132.263
where: short stacking energy: -72.773
Base-Backbone interact. energy: -0.356
local terms energy: -66.982093
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -20.013
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: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -104.713820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.713820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.713820 (E_RNA)
where:
Base-Base interactions energy: -42.342
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.126
local terms energy: -62.245579
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -87.369603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.369603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.369603 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -35.147
Base-Backbone interact. energy: -0.014
local terms energy: -52.209331
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -83.993476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.993476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.993476 (E_RNA)
where:
Base-Base interactions energy: -27.609
where: short stacking energy: -19.032
Base-Backbone interact. energy: -0.372
local terms energy: -56.013045
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -84.573242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573242 (E_RNA)
where:
Base-Base interactions energy: -37.422
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.119
local terms energy: -47.032263
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -81.128065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.128065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.128065 (E_RNA)
where:
Base-Base interactions energy: -36.738
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.148
local terms energy: -44.241847
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -238.368633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.368633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.368633 (E_RNA)
where:
Base-Base interactions energy: -155.407
where: short stacking energy: -72.416
Base-Backbone interact. energy: -0.860
local terms energy: -82.101194
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -234.026109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.026109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.026109 (E_RNA)
where:
Base-Base interactions energy: -160.471
where: short stacking energy: -75.175
Base-Backbone interact. energy: -0.254
local terms energy: -73.301292
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -233.900470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.900470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.900470 (E_RNA)
where:
Base-Base interactions energy: -155.859
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.112
local terms energy: -77.929362
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -9.840
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: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -208.277627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.277627 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.499
local terms energy: -73.462469
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -216.796706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.796706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.796706 (E_RNA)
where:
Base-Base interactions energy: -143.038
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.002
local terms energy: -73.756936
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -13.678
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: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -100.407198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.407198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.407198 (E_RNA)
where:
Base-Base interactions energy: -49.982
where: short stacking energy: -22.932
Base-Backbone interact. energy: -0.020
local terms energy: -50.405566
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -91.568512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.568512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.568512 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -38.055
Base-Backbone interact. energy: -0.117
local terms energy: -52.486640
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -97.152605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.152605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.152605 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.405
local terms energy: -51.838331
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -86.190631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.190631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.190631 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -24.373
Base-Backbone interact. energy: -0.168
local terms energy: -51.486228
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -7.954
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: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -78.407205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.407205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.407205 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.040
local terms energy: -46.790342
where:
bonds (distance) C4'-P energy: -2.758
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -2.558
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: 263
Temperature: 0.900000
Total energy: -230.239963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.239963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.239963 (E_RNA)
where:
Base-Base interactions energy: -156.979
where: short stacking energy: -75.049
Base-Backbone interact. energy: -0.089
local terms energy: -73.171742
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -230.513015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.513015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.513015 (E_RNA)
where:
Base-Base interactions energy: -153.660
where: short stacking energy: -72.615
Base-Backbone interact. energy: -0.098
local terms energy: -76.755152
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -223.853623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.853623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.853623 (E_RNA)
where:
Base-Base interactions energy: -153.594
where: short stacking energy: -71.147
Base-Backbone interact. energy: -1.062
local terms energy: -69.197269
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -5.869
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: 263
Temperature: 1.050000
Total energy: -199.127001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.127001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.127001 (E_RNA)
where:
Base-Base interactions energy: -133.035
where: short stacking energy: -64.252
Base-Backbone interact. energy: -0.060
local terms energy: -66.032918
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -17.376
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: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -203.638705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.638705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.638705 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -61.663
Base-Backbone interact. energy: -0.008
local terms energy: -77.320738
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.099
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: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -111.266441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.266441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.266441 (E_RNA)
where:
Base-Base interactions energy: -50.007
where: short stacking energy: -49.461
Base-Backbone interact. energy: 0.056
local terms energy: -61.315764
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -10.968
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: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -91.844754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.844754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.844754 (E_RNA)
where:
Base-Base interactions energy: -50.681
where: short stacking energy: -26.863
Base-Backbone interact. energy: 0.247
local terms energy: -41.411495
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: 4.689
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: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -92.844357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.844357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.844357 (E_RNA)
where:
Base-Base interactions energy: -33.882
where: short stacking energy: -21.560
Base-Backbone interact. energy: -0.081
local terms energy: -58.881772
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -4.760
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: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -73.764049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.764049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.764049 (E_RNA)
where:
Base-Base interactions energy: -23.131
where: short stacking energy: -22.738
Base-Backbone interact. energy: -0.223
local terms energy: -50.409371
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: 2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -73.328513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.328513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.328513 (E_RNA)
where:
Base-Base interactions energy: -26.799
where: short stacking energy: -26.799
Base-Backbone interact. energy: 0.140
local terms energy: -46.669389
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.858
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: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -238.362950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.362950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.362950 (E_RNA)
where:
Base-Base interactions energy: -156.123
where: short stacking energy: -71.318
Base-Backbone interact. energy: -0.430
local terms energy: -81.809500
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -19.456
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: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -233.134445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.134445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.134445 (E_RNA)
where:
Base-Base interactions energy: -159.034
where: short stacking energy: -71.820
Base-Backbone interact. energy: -0.005
local terms energy: -74.094956
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -18.453
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: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -213.040707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.040707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.040707 (E_RNA)
where:
Base-Base interactions energy: -138.077
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.001
local terms energy: -74.962879
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -9.137
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: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -230.696089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.696089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.696089 (E_RNA)
where:
Base-Base interactions energy: -147.282
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.128
local terms energy: -83.286342
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -219.276648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.276648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.276648 (E_RNA)
where:
Base-Base interactions energy: -146.868
where: short stacking energy: -76.179
Base-Backbone interact. energy: -0.004
local terms energy: -72.404610
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -94.032444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.032444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.032444 (E_RNA)
where:
Base-Base interactions energy: -39.423
where: short stacking energy: -31.534
Base-Backbone interact. energy: 0.704
local terms energy: -55.312605
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -88.162526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162526 (E_RNA)
where:
Base-Base interactions energy: -31.928
where: short stacking energy: -25.058
Base-Backbone interact. energy: 0.227
local terms energy: -56.461256
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.469
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: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -93.704459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.704459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.704459 (E_RNA)
where:
Base-Base interactions energy: -52.819
where: short stacking energy: -32.042
Base-Backbone interact. energy: -0.229
local terms energy: -40.656137
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -76.410791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.410791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.410791 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -26.644
Base-Backbone interact. energy: -0.480
local terms energy: -41.377888
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -69.454705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.454705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.454705 (E_RNA)
where:
Base-Base interactions energy: -26.128
where: short stacking energy: -20.561
Base-Backbone interact. energy: 0.329
local terms energy: -43.655544
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: 1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -233.178202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.178202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.178202 (E_RNA)
where:
Base-Base interactions energy: -152.864
where: short stacking energy: -67.354
Base-Backbone interact. energy: -0.618
local terms energy: -79.696159
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -13.326
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: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -212.522610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.522610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.522610 (E_RNA)
where:
Base-Base interactions energy: -134.266
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.006
local terms energy: -78.251043
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -226.062060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.062060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.062060 (E_RNA)
where:
Base-Base interactions energy: -149.072
where: short stacking energy: -72.481
Base-Backbone interact. energy: -0.161
local terms energy: -76.829572
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -219.901971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.901971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.901971 (E_RNA)
where:
Base-Base interactions energy: -150.257
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.010
local terms energy: -69.634574
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -8.989
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: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -226.576430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.576430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.576430 (E_RNA)
where:
Base-Base interactions energy: -151.147
where: short stacking energy: -72.243
Base-Backbone interact. energy: -0.503
local terms energy: -74.925967
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -115.538929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.538929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.538929 (E_RNA)
where:
Base-Base interactions energy: -54.172
where: short stacking energy: -41.496
Base-Backbone interact. energy: -0.379
local terms energy: -60.988127
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -92.752143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.752143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.752143 (E_RNA)
where:
Base-Base interactions energy: -35.010
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.797
local terms energy: -56.945762
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -78.892680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.892680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.892680 (E_RNA)
where:
Base-Base interactions energy: -30.233
where: short stacking energy: -21.229
Base-Backbone interact. energy: -0.364
local terms energy: -48.295582
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -81.253669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.253669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.253669 (E_RNA)
where:
Base-Base interactions energy: -30.485
where: short stacking energy: -19.240
Base-Backbone interact. energy: 1.261
local terms energy: -52.030412
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: 2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -74.618546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.618546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.618546 (E_RNA)
where:
Base-Base interactions energy: -27.089
where: short stacking energy: -26.797
Base-Backbone interact. energy: -0.692
local terms energy: -46.837253
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -9.644
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: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -232.411501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.411501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.411501 (E_RNA)
where:
Base-Base interactions energy: -159.101
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.152
local terms energy: -73.158536
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -21.379
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -215.881498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.881498 (E_RNA)
where:
Base-Base interactions energy: -137.855
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.000
local terms energy: -78.025825
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -225.546044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.546044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.546044 (E_RNA)
where:
Base-Base interactions energy: -153.424
where: short stacking energy: -74.828
Base-Backbone interact. energy: -0.490
local terms energy: -71.632118
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -22.624
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: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -209.444804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.444804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.444804 (E_RNA)
where:
Base-Base interactions energy: -137.905
where: short stacking energy: -70.851
Base-Backbone interact. energy: 0.387
local terms energy: -71.926944
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -18.261
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: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -213.340118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.340118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.340118 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -70.732
Base-Backbone interact. energy: -0.056
local terms energy: -76.531218
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.545
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: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -183.972560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.972560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.972560 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -46.946
Base-Backbone interact. energy: 0.311
local terms energy: -63.663921
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -91.360724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.360724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.360724 (E_RNA)
where:
Base-Base interactions energy: -52.351
where: short stacking energy: -30.771
Base-Backbone interact. energy: -1.436
local terms energy: -37.573256
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -85.453703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.453703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.453703 (E_RNA)
where:
Base-Base interactions energy: -30.958
where: short stacking energy: -30.958
Base-Backbone interact. energy: -0.007
local terms energy: -54.488609
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -82.886139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.886139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.886139 (E_RNA)
where:
Base-Base interactions energy: -33.185
where: short stacking energy: -25.990
Base-Backbone interact. energy: 0.258
local terms energy: -49.959772
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -79.499414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.499414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.499414 (E_RNA)
where:
Base-Base interactions energy: -27.069
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.134
local terms energy: -52.296441
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -233.187493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.187493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.187493 (E_RNA)
where:
Base-Base interactions energy: -153.713
where: short stacking energy: -74.047
Base-Backbone interact. energy: -0.042
local terms energy: -79.432049
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -221.418514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.418514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.418514 (E_RNA)
where:
Base-Base interactions energy: -150.649
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.053
local terms energy: -70.716608
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -205.178225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.178225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.178225 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.246
local terms energy: -78.065812
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -20.072
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: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -203.195343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.195343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.195343 (E_RNA)
where:
Base-Base interactions energy: -127.732
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.134
local terms energy: -75.330036
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -20.675
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: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -178.300472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.300472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.300472 (E_RNA)
where:
Base-Base interactions energy: -112.239
where: short stacking energy: -47.465
Base-Backbone interact. energy: -0.543
local terms energy: -65.519088
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -178.355586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.355586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.355586 (E_RNA)
where:
Base-Base interactions energy: -118.945
where: short stacking energy: -44.365
Base-Backbone interact. energy: -0.497
local terms energy: -58.912899
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.011
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -103.067912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.067912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.067912 (E_RNA)
where:
Base-Base interactions energy: -45.085
where: short stacking energy: -33.054
Base-Backbone interact. energy: -0.122
local terms energy: -57.860374
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -83.182431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.182431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.182431 (E_RNA)
where:
Base-Base interactions energy: -33.498
where: short stacking energy: -33.498
Base-Backbone interact. energy: 0.045
local terms energy: -49.728744
where:
bonds (distance) C4'-P energy: -6.627
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -9.960
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: 267
Temperature: 1.300000
Total energy: -81.097918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.097918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.097918 (E_RNA)
where:
Base-Base interactions energy: -28.548
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.152
local terms energy: -52.398743
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -77.930286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.930286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.930286 (E_RNA)
where:
Base-Base interactions energy: -35.724
where: short stacking energy: -16.743
Base-Backbone interact. energy: -0.618
local terms energy: -41.588540
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -227.541430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.541430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.541430 (E_RNA)
where:
Base-Base interactions energy: -148.275
where: short stacking energy: -67.529
Base-Backbone interact. energy: -0.658
local terms energy: -78.607686
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -219.186111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186111 (E_RNA)
where:
Base-Base interactions energy: -143.732
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.038
local terms energy: -75.415701
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -7.016
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: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -212.521703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.521703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.521703 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.000
local terms energy: -69.496649
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -194.587638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587638 (E_RNA)
where:
Base-Base interactions energy: -122.572
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.000
local terms energy: -72.015370
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -179.112072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.112072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.112072 (E_RNA)
where:
Base-Base interactions energy: -106.043
where: short stacking energy: -39.941
Base-Backbone interact. energy: -1.586
local terms energy: -71.482736
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -177.550579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.550579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.550579 (E_RNA)
where:
Base-Base interactions energy: -111.543
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.018
local terms energy: -65.990002
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -84.409642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.409642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.409642 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -28.729
Base-Backbone interact. energy: -0.162
local terms energy: -55.818591
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -83.198891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.198891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.198891 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -34.740
Base-Backbone interact. energy: -0.157
local terms energy: -48.302329
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -6.285
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: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -111.450599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.450599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.450599 (E_RNA)
where:
Base-Base interactions energy: -63.023
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.019
local terms energy: -48.409270
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -83.678039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.678039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.678039 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -13.531
Base-Backbone interact. energy: -0.370
local terms energy: -52.935394
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: 3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -236.385504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.385504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.385504 (E_RNA)
where:
Base-Base interactions energy: -156.404
where: short stacking energy: -77.056
Base-Backbone interact. energy: -0.005
local terms energy: -79.976430
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -21.918
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: 269
Temperature: 0.950000
Total energy: -228.587887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.587887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.587887 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -64.833
Base-Backbone interact. energy: 1.466
local terms energy: -79.716850
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -217.335077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335077 (E_RNA)
where:
Base-Base interactions energy: -141.619
where: short stacking energy: -73.885
Base-Backbone interact. energy: 0.376
local terms energy: -76.092660
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -203.930809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.930809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.930809 (E_RNA)
where:
Base-Base interactions energy: -130.537
where: short stacking energy: -61.751
Base-Backbone interact. energy: 0.181
local terms energy: -73.575322
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -189.113098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.113098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.113098 (E_RNA)
where:
Base-Base interactions energy: -124.003
where: short stacking energy: -58.505
Base-Backbone interact. energy: -0.039
local terms energy: -65.071704
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -176.142853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.142853 (E_RNA)
where:
Base-Base interactions energy: -114.787
where: short stacking energy: -51.822
Base-Backbone interact. energy: -0.932
local terms energy: -60.423647
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -99.197216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.197216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.197216 (E_RNA)
where:
Base-Base interactions energy: -43.571
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.097
local terms energy: -55.528569
where:
bonds (distance) C4'-P energy: -4.294
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -88.914354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.914354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.914354 (E_RNA)
where:
Base-Base interactions energy: -44.056
where: short stacking energy: -31.736
Base-Backbone interact. energy: -0.204
local terms energy: -44.654176
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -71.299604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.299604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.299604 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -27.714
Base-Backbone interact. energy: 0.118
local terms energy: -42.789416
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: 3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -78.143416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.143416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.143416 (E_RNA)
where:
Base-Base interactions energy: -27.700
where: short stacking energy: -25.605
Base-Backbone interact. energy: -0.045
local terms energy: -50.397863
where:
bonds (distance) C4'-P energy: -5.614
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -7.894
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: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -227.179297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.179297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.179297 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -71.020
Base-Backbone interact. energy: -1.034
local terms energy: -77.468275
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -10.140
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: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -237.557531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.557531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.557531 (E_RNA)
where:
Base-Base interactions energy: -161.766
where: short stacking energy: -77.536
Base-Backbone interact. energy: -0.062
local terms energy: -75.729109
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -208.163215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.163215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.163215 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.007
local terms energy: -77.835797
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -18.598
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: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -205.892754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.892754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.892754 (E_RNA)
where:
Base-Base interactions energy: -134.229
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.042
local terms energy: -71.621632
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -18.182
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -220.662847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.662847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.662847 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -69.831
Base-Backbone interact. energy: -0.045
local terms energy: -77.141430
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -190.881961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.881961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.881961 (E_RNA)
where:
Base-Base interactions energy: -119.512
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.000
local terms energy: -71.369968
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -107.326155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.326155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.326155 (E_RNA)
where:
Base-Base interactions energy: -57.801
where: short stacking energy: -32.978
Base-Backbone interact. energy: -0.605
local terms energy: -48.920320
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -81.566946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.566946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.566946 (E_RNA)
where:
Base-Base interactions energy: -26.375
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.456
local terms energy: -54.736310
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -11.147
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: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -89.191550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.191550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.191550 (E_RNA)
where:
Base-Base interactions energy: -36.791
where: short stacking energy: -25.565
Base-Backbone interact. energy: -0.120
local terms energy: -52.280658
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -74.670263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.670263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.670263 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -34.816
Base-Backbone interact. energy: 0.645
local terms energy: -38.743671
where:
bonds (distance) C4'-P energy: -5.725
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.652
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: 271
Temperature: 0.900000
Total energy: -231.027918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.027918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.027918 (E_RNA)
where:
Base-Base interactions energy: -152.420
where: short stacking energy: -74.309
Base-Backbone interact. energy: -0.044
local terms energy: -78.563833
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -232.565548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.565548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.565548 (E_RNA)
where:
Base-Base interactions energy: -151.145
where: short stacking energy: -72.687
Base-Backbone interact. energy: -0.100
local terms energy: -81.320313
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -210.632101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.632101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.632101 (E_RNA)
where:
Base-Base interactions energy: -135.152
where: short stacking energy: -70.086
Base-Backbone interact. energy: -0.050
local terms energy: -75.429397
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.557
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: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -221.978441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.978441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.978441 (E_RNA)
where:
Base-Base interactions energy: -142.509
where: short stacking energy: -66.731
Base-Backbone interact. energy: -0.303
local terms energy: -79.167131
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -10.193
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: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -203.595422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.595422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.595422 (E_RNA)
where:
Base-Base interactions energy: -134.405
where: short stacking energy: -67.337
Base-Backbone interact. energy: -0.231
local terms energy: -68.959692
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -8.690
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: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -193.712106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.712106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.712106 (E_RNA)
where:
Base-Base interactions energy: -125.739
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.054
local terms energy: -67.918738
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -90.566456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.566456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.566456 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -33.647
Base-Backbone interact. energy: -0.325
local terms energy: -56.594552
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -91.178730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.178730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.178730 (E_RNA)
where:
Base-Base interactions energy: -33.547
where: short stacking energy: -30.991
Base-Backbone interact. energy: -0.072
local terms energy: -57.559692
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -8.681
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: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -78.758280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.758280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.758280 (E_RNA)
where:
Base-Base interactions energy: -31.863
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.661
local terms energy: -46.234217
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -2.573
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: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -87.927849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.927849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.927849 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -33.230
Base-Backbone interact. energy: -1.398
local terms energy: -53.299924
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -4.963
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: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -235.104933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.104933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.104933 (E_RNA)
where:
Base-Base interactions energy: -158.102
where: short stacking energy: -73.690
Base-Backbone interact. energy: -0.442
local terms energy: -76.561363
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -226.751255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.751255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.751255 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -77.810
Base-Backbone interact. energy: -0.044
local terms energy: -83.895692
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -21.710
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: 272
Temperature: 1.000000
Total energy: -208.832921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.832921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.832921 (E_RNA)
where:
Base-Base interactions energy: -126.957
where: short stacking energy: -62.373
Base-Backbone interact. energy: -0.086
local terms energy: -81.790097
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -209.288929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.288929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.288929 (E_RNA)
where:
Base-Base interactions energy: -133.901
where: short stacking energy: -70.940
Base-Backbone interact. energy: -0.061
local terms energy: -75.326603
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.561
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: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -197.279713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.279713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.279713 (E_RNA)
where:
Base-Base interactions energy: -127.634
where: short stacking energy: -65.067
Base-Backbone interact. energy: -0.337
local terms energy: -69.308578
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -188.478422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.478422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478422 (E_RNA)
where:
Base-Base interactions energy: -127.397
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.045
local terms energy: -61.036060
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -6.610
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: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -93.525324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525324 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.003
local terms energy: -53.143757
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -7.138
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: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -90.480162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.480162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.480162 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.001
local terms energy: -57.540000
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -7.192
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: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -77.788224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.788224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.788224 (E_RNA)
where:
Base-Base interactions energy: -26.074
where: short stacking energy: -25.963
Base-Backbone interact. energy: -0.091
local terms energy: -51.623310
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -2.853
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: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -80.463596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.463596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.463596 (E_RNA)
where:
Base-Base interactions energy: -42.789
where: short stacking energy: -22.204
Base-Backbone interact. energy: -0.255
local terms energy: -37.419629
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -232.497059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.497059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.497059 (E_RNA)
where:
Base-Base interactions energy: -151.553
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.000
local terms energy: -80.944081
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -212.712676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.712676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.712676 (E_RNA)
where:
Base-Base interactions energy: -139.088
where: short stacking energy: -74.660
Base-Backbone interact. energy: -0.006
local terms energy: -73.618945
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -213.011242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.011242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.011242 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -71.209
Base-Backbone interact. energy: -0.001
local terms energy: -72.785394
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -9.456
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: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -208.455941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.455941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.455941 (E_RNA)
where:
Base-Base interactions energy: -134.903
where: short stacking energy: -59.973
Base-Backbone interact. energy: -1.108
local terms energy: -72.444849
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -18.521
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -188.787525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.787525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.787525 (E_RNA)
where:
Base-Base interactions energy: -119.375
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.195
local terms energy: -69.218407
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -17.331
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: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -189.254134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.254134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.254134 (E_RNA)
where:
Base-Base interactions energy: -126.272
where: short stacking energy: -58.168
Base-Backbone interact. energy: -0.084
local terms energy: -62.898943
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -92.516954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.516954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.516954 (E_RNA)
where:
Base-Base interactions energy: -40.001
where: short stacking energy: -20.954
Base-Backbone interact. energy: -0.295
local terms energy: -52.220908
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -1.791
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -78.086061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.086061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.086061 (E_RNA)
where:
Base-Base interactions energy: -22.005
where: short stacking energy: -22.305
Base-Backbone interact. energy: -0.207
local terms energy: -55.874513
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -83.538212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.538212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.538212 (E_RNA)
where:
Base-Base interactions energy: -31.552
where: short stacking energy: -27.884
Base-Backbone interact. energy: -0.005
local terms energy: -51.981419
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -75.628527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.628527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.628527 (E_RNA)
where:
Base-Base interactions energy: -27.245
where: short stacking energy: -14.655
Base-Backbone interact. energy: -0.129
local terms energy: -48.255052
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -237.799845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.799845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.799845 (E_RNA)
where:
Base-Base interactions energy: -158.680
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.352
local terms energy: -78.767966
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.899
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: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -209.704501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.704501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.704501 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.000
local terms energy: -74.609181
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -9.267
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: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -224.603959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.603959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.603959 (E_RNA)
where:
Base-Base interactions energy: -151.819
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.097
local terms energy: -72.687896
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -19.072
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: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -200.349295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.349295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.349295 (E_RNA)
where:
Base-Base interactions energy: -126.988
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.056
local terms energy: -73.304980
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -184.500454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.500454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.500454 (E_RNA)
where:
Base-Base interactions energy: -122.156
where: short stacking energy: -56.706
Base-Backbone interact. energy: -0.447
local terms energy: -61.897132
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -179.093775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.093775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.093775 (E_RNA)
where:
Base-Base interactions energy: -116.551
where: short stacking energy: -55.011
Base-Backbone interact. energy: -0.470
local terms energy: -62.073509
where:
bonds (distance) C4'-P energy: -7.794
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -12.952
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: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -97.797747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.797747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.797747 (E_RNA)
where:
Base-Base interactions energy: -42.588
where: short stacking energy: -35.220
Base-Backbone interact. energy: -0.154
local terms energy: -55.055685
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -87.041400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.041400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.041400 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -19.431
Base-Backbone interact. energy: -0.611
local terms energy: -45.810352
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: 1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -74.741173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.741173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.741173 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -25.396
Base-Backbone interact. energy: -0.198
local terms energy: -44.992502
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -6.423
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: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -80.989832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.989832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.989832 (E_RNA)
where:
Base-Base interactions energy: -34.738
where: short stacking energy: -34.738
Base-Backbone interact. energy: -0.033
local terms energy: -46.218468
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -229.100192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.100192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.100192 (E_RNA)
where:
Base-Base interactions energy: -152.739
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.063
local terms energy: -76.297488
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -22.343
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: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -232.011955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.011955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.011955 (E_RNA)
where:
Base-Base interactions energy: -152.956
where: short stacking energy: -74.235
Base-Backbone interact. energy: -0.002
local terms energy: -79.053222
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -223.688825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.688825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.688825 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.000
local terms energy: -74.539587
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -191.068377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.068377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.068377 (E_RNA)
where:
Base-Base interactions energy: -116.806
where: short stacking energy: -53.952
Base-Backbone interact. energy: -0.165
local terms energy: -74.096936
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -199.086665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.086665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.086665 (E_RNA)
where:
Base-Base interactions energy: -126.886
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.000
local terms energy: -72.200081
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -175.291049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.291049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.291049 (E_RNA)
where:
Base-Base interactions energy: -121.904
where: short stacking energy: -51.814
Base-Backbone interact. energy: -0.043
local terms energy: -53.343992
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -5.089
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -100.298207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.298207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.298207 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -37.887
Base-Backbone interact. energy: -0.018
local terms energy: -62.792909
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.735
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: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -85.034038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.034038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.034038 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -36.479
Base-Backbone interact. energy: -0.046
local terms energy: -48.383970
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -8.799
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -84.036468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.036468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.036468 (E_RNA)
where:
Base-Base interactions energy: -33.031
where: short stacking energy: -33.031
Base-Backbone interact. energy: -0.011
local terms energy: -50.994667
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -78.920269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.920269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.920269 (E_RNA)
where:
Base-Base interactions energy: -20.903
where: short stacking energy: -20.508
Base-Backbone interact. energy: -0.212
local terms energy: -57.805152
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -236.667652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.667652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.667652 (E_RNA)
where:
Base-Base interactions energy: -155.147
where: short stacking energy: -75.931
Base-Backbone interact. energy: -0.010
local terms energy: -81.511159
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -228.404750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.404750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.404750 (E_RNA)
where:
Base-Base interactions energy: -148.606
where: short stacking energy: -72.210
Base-Backbone interact. energy: -0.375
local terms energy: -79.423713
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -219.372300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.372300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.372300 (E_RNA)
where:
Base-Base interactions energy: -140.864
where: short stacking energy: -58.843
Base-Backbone interact. energy: -0.334
local terms energy: -78.174538
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -203.788222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.788222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.788222 (E_RNA)
where:
Base-Base interactions energy: -131.669
where: short stacking energy: -62.027
Base-Backbone interact. energy: -0.004
local terms energy: -72.116149
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -183.094636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.094636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.094636 (E_RNA)
where:
Base-Base interactions energy: -126.899
where: short stacking energy: -54.079
Base-Backbone interact. energy: 0.453
local terms energy: -56.648637
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -172.626654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.626654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.626654 (E_RNA)
where:
Base-Base interactions energy: -103.306
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.028
local terms energy: -69.291878
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -13.039
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: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -96.362319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.362319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.362319 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.008
local terms energy: -56.900486
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -89.440421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.440421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.440421 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -35.389
Base-Backbone interact. energy: -0.068
local terms energy: -49.274160
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -2.019
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: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -79.417644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.417644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.417644 (E_RNA)
where:
Base-Base interactions energy: -27.224
where: short stacking energy: -27.194
Base-Backbone interact. energy: -0.192
local terms energy: -52.001363
where:
bonds (distance) C4'-P energy: -7.545
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -85.038236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038236 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.130
local terms energy: -47.330726
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -234.434174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.434174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.434174 (E_RNA)
where:
Base-Base interactions energy: -155.021
where: short stacking energy: -76.713
Base-Backbone interact. energy: 0.709
local terms energy: -80.122171
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -217.727266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.727266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.727266 (E_RNA)
where:
Base-Base interactions energy: -143.207
where: short stacking energy: -73.611
Base-Backbone interact. energy: -0.622
local terms energy: -73.898923
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -210.032713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.032713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.032713 (E_RNA)
where:
Base-Base interactions energy: -140.522
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.022
local terms energy: -69.488414
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -21.788
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: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -180.828027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.828027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.828027 (E_RNA)
where:
Base-Base interactions energy: -109.734
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.012
local terms energy: -71.082142
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -201.233352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.233352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.233352 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -60.296
Base-Backbone interact. energy: 0.176
local terms energy: -72.269363
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -17.678
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: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -173.895813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.895813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.895813 (E_RNA)
where:
Base-Base interactions energy: -106.009
where: short stacking energy: -50.454
Base-Backbone interact. energy: -0.190
local terms energy: -67.696138
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -115.979869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.979869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.979869 (E_RNA)
where:
Base-Base interactions energy: -56.097
where: short stacking energy: -37.299
Base-Backbone interact. energy: -0.457
local terms energy: -59.426702
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -96.444098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.444098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.444098 (E_RNA)
where:
Base-Base interactions energy: -44.529
where: short stacking energy: -29.975
Base-Backbone interact. energy: 0.164
local terms energy: -52.078913
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.254
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: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -74.368700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.368700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.368700 (E_RNA)
where:
Base-Base interactions energy: -25.333
where: short stacking energy: -21.284
Base-Backbone interact. energy: -0.927
local terms energy: -48.109251
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -9.068
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: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -77.682036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.682036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.682036 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -25.117
Base-Backbone interact. energy: 0.058
local terms energy: -39.590684
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -226.950414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.950414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.950414 (E_RNA)
where:
Base-Base interactions energy: -152.678
where: short stacking energy: -78.065
Base-Backbone interact. energy: -0.014
local terms energy: -74.257797
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -234.708144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.708144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.708144 (E_RNA)
where:
Base-Base interactions energy: -156.283
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.004
local terms energy: -78.421242
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -202.778143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.778143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.778143 (E_RNA)
where:
Base-Base interactions energy: -132.715
where: short stacking energy: -67.290
Base-Backbone interact. energy: 2.949
local terms energy: -73.012531
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -12.217
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: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -206.989942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.989942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.989942 (E_RNA)
where:
Base-Base interactions energy: -133.715
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.373
local terms energy: -72.902671
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.323
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: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -185.883864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.883864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.883864 (E_RNA)
where:
Base-Base interactions energy: -115.865
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.004
local terms energy: -70.015702
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -198.859869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.859869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.859869 (E_RNA)
where:
Base-Base interactions energy: -133.941
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.054
local terms energy: -64.865171
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -85.132357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.132357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.132357 (E_RNA)
where:
Base-Base interactions energy: -26.884
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.043
local terms energy: -58.204787
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -88.179870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.179870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.179870 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -31.952
Base-Backbone interact. energy: 0.220
local terms energy: -56.448212
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -94.468874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.468874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.468874 (E_RNA)
where:
Base-Base interactions energy: -37.425
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.311
local terms energy: -56.732057
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -71.166397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.166397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.166397 (E_RNA)
where:
Base-Base interactions energy: -27.567
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.104
local terms energy: -43.495727
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -1.505
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: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -237.613166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.613166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.613166 (E_RNA)
where:
Base-Base interactions energy: -161.181
where: short stacking energy: -74.747
Base-Backbone interact. energy: -0.002
local terms energy: -76.429930
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -229.646140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.646140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.646140 (E_RNA)
where:
Base-Base interactions energy: -154.023
where: short stacking energy: -70.418
Base-Backbone interact. energy: -0.032
local terms energy: -75.591887
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -17.913
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: 279
Temperature: 1.000000
Total energy: -229.714880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.714880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.714880 (E_RNA)
where:
Base-Base interactions energy: -152.243
where: short stacking energy: -68.608
Base-Backbone interact. energy: -0.016
local terms energy: -77.455758
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -21.217
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: 279
Temperature: 1.050000
Total energy: -223.380621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.380621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.380621 (E_RNA)
where:
Base-Base interactions energy: -143.901
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.064
local terms energy: -79.415435
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -197.526390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.526390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.526390 (E_RNA)
where:
Base-Base interactions energy: -131.570
where: short stacking energy: -66.823
Base-Backbone interact. energy: -0.010
local terms energy: -65.946574
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -17.599
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -190.355682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.355682 (E_RNA)
where:
Base-Base interactions energy: -122.464
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.004
local terms energy: -67.888022
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -98.579857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.579857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.579857 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -38.992
Base-Backbone interact. energy: -0.005
local terms energy: -59.582232
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -100.595047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.595047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.595047 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -36.552
Base-Backbone interact. energy: -0.349
local terms energy: -59.785461
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -6.037
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -89.865817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.865817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.865817 (E_RNA)
where:
Base-Base interactions energy: -32.752
where: short stacking energy: -19.599
Base-Backbone interact. energy: -0.442
local terms energy: -56.672139
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -80.918610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.918610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.918610 (E_RNA)
where:
Base-Base interactions energy: -24.510
where: short stacking energy: -23.294
Base-Backbone interact. energy: -0.538
local terms energy: -55.870381
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -233.493913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.493913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.493913 (E_RNA)
where:
Base-Base interactions energy: -149.627
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.370
local terms energy: -83.496227
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -19.691
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: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -235.410141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.410141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.410141 (E_RNA)
where:
Base-Base interactions energy: -157.428
where: short stacking energy: -73.999
Base-Backbone interact. energy: -0.415
local terms energy: -77.567002
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -223.279653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279653 (E_RNA)
where:
Base-Base interactions energy: -155.024
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.002
local terms energy: -68.253722
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -7.136
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: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -209.011425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.011425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.011425 (E_RNA)
where:
Base-Base interactions energy: -143.922
where: short stacking energy: -66.657
Base-Backbone interact. energy: -0.008
local terms energy: -65.081320
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -197.833624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.833624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.833624 (E_RNA)
where:
Base-Base interactions energy: -126.423
where: short stacking energy: -60.202
Base-Backbone interact. energy: -0.072
local terms energy: -71.337976
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -206.919630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.919630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.919630 (E_RNA)
where:
Base-Base interactions energy: -135.413
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.000
local terms energy: -71.506227
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.898
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: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -87.468123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.468123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.468123 (E_RNA)
where:
Base-Base interactions energy: -41.604
where: short stacking energy: -20.166
Base-Backbone interact. energy: -0.237
local terms energy: -45.627390
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -81.534519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.534519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.534519 (E_RNA)
where:
Base-Base interactions energy: -44.503
where: short stacking energy: -26.622
Base-Backbone interact. energy: 0.471
local terms energy: -37.502812
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -5.341
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: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -85.078926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078926 (E_RNA)
where:
Base-Base interactions energy: -29.833
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.008
local terms energy: -55.237358
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -72.121566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.121566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.121566 (E_RNA)
where:
Base-Base interactions energy: -28.101
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.356
local terms energy: -43.664520
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -0.388
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: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -234.236524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.236524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.236524 (E_RNA)
where:
Base-Base interactions energy: -154.820
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.183
local terms energy: -79.233604
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -234.382199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.382199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.382199 (E_RNA)
where:
Base-Base interactions energy: -158.908
where: short stacking energy: -72.344
Base-Backbone interact. energy: -0.002
local terms energy: -75.471809
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -219.655144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.655144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.655144 (E_RNA)
where:
Base-Base interactions energy: -142.803
where: short stacking energy: -73.215
Base-Backbone interact. energy: -0.007
local terms energy: -76.844636
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -205.872096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.872096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.872096 (E_RNA)
where:
Base-Base interactions energy: -138.916
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.050
local terms energy: -66.905482
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -185.895302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.895302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.895302 (E_RNA)
where:
Base-Base interactions energy: -120.653
where: short stacking energy: -59.258
Base-Backbone interact. energy: -0.116
local terms energy: -65.126845
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -17.717
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: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -189.799734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.799734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.799734 (E_RNA)
where:
Base-Base interactions energy: -122.286
where: short stacking energy: -63.550
Base-Backbone interact. energy: -0.162
local terms energy: -67.351476
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -7.014
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: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -100.444171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.444171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.444171 (E_RNA)
where:
Base-Base interactions energy: -47.565
where: short stacking energy: -27.673
Base-Backbone interact. energy: 1.094
local terms energy: -53.972424
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -83.858393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.858393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.858393 (E_RNA)
where:
Base-Base interactions energy: -34.150
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.475
local terms energy: -49.233286
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -10.212
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: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -80.307079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.307079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.307079 (E_RNA)
where:
Base-Base interactions energy: -27.619
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.123
local terms energy: -52.565171
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -0.691
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: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.112175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.112175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.112175 (E_RNA)
where:
Base-Base interactions energy: -23.491
where: short stacking energy: -18.438
Base-Backbone interact. energy: -0.099
local terms energy: -53.521657
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -231.145331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.145331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.145331 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.698
local terms energy: -78.518077
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -13.500
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -228.473151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.473151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.473151 (E_RNA)
where:
Base-Base interactions energy: -155.092
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.002
local terms energy: -73.379146
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -216.095450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.095450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.095450 (E_RNA)
where:
Base-Base interactions energy: -152.324
where: short stacking energy: -72.816
Base-Backbone interact. energy: -0.032
local terms energy: -63.739606
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -217.712961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.712961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.712961 (E_RNA)
where:
Base-Base interactions energy: -143.588
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.001
local terms energy: -74.124404
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -18.227
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: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -196.493456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.493456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.493456 (E_RNA)
where:
Base-Base interactions energy: -127.341
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.615
local terms energy: -68.537404
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -177.641620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.641620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.641620 (E_RNA)
where:
Base-Base interactions energy: -110.994
where: short stacking energy: -50.049
Base-Backbone interact. energy: -0.018
local terms energy: -66.628744
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -92.692225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.692225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.692225 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.322
local terms energy: -59.987613
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -89.155657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.155657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.155657 (E_RNA)
where:
Base-Base interactions energy: -41.419
where: short stacking energy: -22.974
Base-Backbone interact. energy: -0.064
local terms energy: -47.673354
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -2.416
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: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -84.049123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.049123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.049123 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.130
local terms energy: -53.236372
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -70.185404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.185404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.185404 (E_RNA)
where:
Base-Base interactions energy: -21.658
where: short stacking energy: -21.436
Base-Backbone interact. energy: -0.144
local terms energy: -48.383158
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -3.808
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -227.150249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.150249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.150249 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -76.567
Base-Backbone interact. energy: 0.163
local terms energy: -83.970257
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -231.963584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.963584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.963584 (E_RNA)
where:
Base-Base interactions energy: -158.509
where: short stacking energy: -77.674
Base-Backbone interact. energy: -0.004
local terms energy: -73.450487
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -13.245
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: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -223.280770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.280770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.280770 (E_RNA)
where:
Base-Base interactions energy: -149.660
where: short stacking energy: -71.476
Base-Backbone interact. energy: -0.001
local terms energy: -73.619744
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -210.208852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.208852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.208852 (E_RNA)
where:
Base-Base interactions energy: -130.430
where: short stacking energy: -68.687
Base-Backbone interact. energy: -0.683
local terms energy: -79.096245
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -197.820968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.820968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.820968 (E_RNA)
where:
Base-Base interactions energy: -122.071
where: short stacking energy: -60.094
Base-Backbone interact. energy: 0.756
local terms energy: -76.505490
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -185.102096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.102096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.102096 (E_RNA)
where:
Base-Base interactions energy: -107.996
where: short stacking energy: -59.457
Base-Backbone interact. energy: -0.032
local terms energy: -77.073825
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -19.349
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: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -83.366982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.366982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.366982 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.852
local terms energy: -51.500455
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -86.836590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.836590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.836590 (E_RNA)
where:
Base-Base interactions energy: -31.750
where: short stacking energy: -28.165
Base-Backbone interact. energy: 0.131
local terms energy: -55.218038
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -83.152019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.152019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.152019 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.418
local terms energy: -45.889520
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -5.648
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -67.890989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.890989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.890989 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -15.706
Base-Backbone interact. energy: 0.042
local terms energy: -40.858322
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: 4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -233.831721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.831721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.831721 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -73.776
Base-Backbone interact. energy: -0.008
local terms energy: -77.796903
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -222.245261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.245261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.245261 (E_RNA)
where:
Base-Base interactions energy: -144.838
where: short stacking energy: -71.228
Base-Backbone interact. energy: -0.004
local terms energy: -77.403603
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -18.046
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: 284
Temperature: 1.000000
Total energy: -202.325678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.325678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.325678 (E_RNA)
where:
Base-Base interactions energy: -129.644
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.001
local terms energy: -72.680940
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -208.537955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.537955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.537955 (E_RNA)
where:
Base-Base interactions energy: -143.200
where: short stacking energy: -62.906
Base-Backbone interact. energy: -0.269
local terms energy: -65.068490
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.609
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: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -197.277229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.277229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.277229 (E_RNA)
where:
Base-Base interactions energy: -128.200
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.038
local terms energy: -69.039821
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -14.909
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: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -186.134988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.134988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.134988 (E_RNA)
where:
Base-Base interactions energy: -120.652
where: short stacking energy: -55.145
Base-Backbone interact. energy: -1.177
local terms energy: -64.305637
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -5.661
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: 284
Temperature: 1.200000
Total energy: -88.028424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.028424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.028424 (E_RNA)
where:
Base-Base interactions energy: -39.216
where: short stacking energy: -39.216
Base-Backbone interact. energy: -0.027
local terms energy: -48.785594
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -85.596621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596621 (E_RNA)
where:
Base-Base interactions energy: -38.140
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.164
local terms energy: -47.291961
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: 0.592
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -98.555256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.555256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.555256 (E_RNA)
where:
Base-Base interactions energy: -38.167
where: short stacking energy: -31.675
Base-Backbone interact. energy: -0.026
local terms energy: -60.361720
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -5.977
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: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -78.088644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.088644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.088644 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.049
local terms energy: -44.512566
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -5.548
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -237.679787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.679787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.679787 (E_RNA)
where:
Base-Base interactions energy: -157.376
where: short stacking energy: -77.123
Base-Backbone interact. energy: -0.002
local terms energy: -80.302351
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -225.825158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.825158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.825158 (E_RNA)
where:
Base-Base interactions energy: -153.518
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.002
local terms energy: -72.305999
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.403
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: 285
Temperature: 1.000000
Total energy: -230.185656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.185656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.185656 (E_RNA)
where:
Base-Base interactions energy: -158.283
where: short stacking energy: -78.118
Base-Backbone interact. energy: -0.001
local terms energy: -71.901011
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.435
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: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -199.580425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.580425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.580425 (E_RNA)
where:
Base-Base interactions energy: -127.181
where: short stacking energy: -65.542
Base-Backbone interact. energy: -0.006
local terms energy: -72.393936
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -209.295846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.295846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.295846 (E_RNA)
where:
Base-Base interactions energy: -143.545
where: short stacking energy: -66.668
Base-Backbone interact. energy: -0.004
local terms energy: -65.746967
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -7.584
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -186.401107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.401107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.401107 (E_RNA)
where:
Base-Base interactions energy: -122.500
where: short stacking energy: -56.968
Base-Backbone interact. energy: -0.070
local terms energy: -63.830550
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -106.864842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.864842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.864842 (E_RNA)
where:
Base-Base interactions energy: -54.350
where: short stacking energy: -36.310
Base-Backbone interact. energy: -0.093
local terms energy: -52.422554
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -7.727
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: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -81.240789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.240789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.240789 (E_RNA)
where:
Base-Base interactions energy: -35.321
where: short stacking energy: -35.321
Base-Backbone interact. energy: 0.177
local terms energy: -46.096490
where:
bonds (distance) C4'-P energy: -6.373
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -9.642
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: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -75.640127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.640127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.640127 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -26.484
Base-Backbone interact. energy: -0.216
local terms energy: -46.739984
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -80.435847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.435847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.435847 (E_RNA)
where:
Base-Base interactions energy: -32.278
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.182
local terms energy: -47.975763
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -238.215581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.215581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.215581 (E_RNA)
where:
Base-Base interactions energy: -157.647
where: short stacking energy: -75.102
Base-Backbone interact. energy: -0.523
local terms energy: -80.045962
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.466
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: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -229.367121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.367121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.367121 (E_RNA)
where:
Base-Base interactions energy: -154.431
where: short stacking energy: -66.902
Base-Backbone interact. energy: -0.151
local terms energy: -74.785545
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -200.589697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.589697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.589697 (E_RNA)
where:
Base-Base interactions energy: -128.817
where: short stacking energy: -63.560
Base-Backbone interact. energy: -0.007
local terms energy: -71.765331
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -224.240646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.240646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.240646 (E_RNA)
where:
Base-Base interactions energy: -142.303
where: short stacking energy: -67.578
Base-Backbone interact. energy: -0.002
local terms energy: -81.935594
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -212.243057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.243057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.243057 (E_RNA)
where:
Base-Base interactions energy: -140.523
where: short stacking energy: -72.241
Base-Backbone interact. energy: -0.000
local terms energy: -71.719664
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -175.302408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.302408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.302408 (E_RNA)
where:
Base-Base interactions energy: -110.275
where: short stacking energy: -47.680
Base-Backbone interact. energy: 0.708
local terms energy: -65.734677
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -6.308
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: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -93.063111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.063111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.063111 (E_RNA)
where:
Base-Base interactions energy: -44.487
where: short stacking energy: -23.530
Base-Backbone interact. energy: -0.201
local terms energy: -48.374840
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -0.101
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -77.480798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.480798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.480798 (E_RNA)
where:
Base-Base interactions energy: -28.914
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.358
local terms energy: -48.208630
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.113
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: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -77.708869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.708869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.708869 (E_RNA)
where:
Base-Base interactions energy: -29.650
where: short stacking energy: -29.650
Base-Backbone interact. energy: -0.063
local terms energy: -47.995417
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -72.482184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.482184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.482184 (E_RNA)
where:
Base-Base interactions energy: -20.589
where: short stacking energy: -20.589
Base-Backbone interact. energy: -0.122
local terms energy: -51.771318
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -8.518
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: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -235.616582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.616582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.616582 (E_RNA)
where:
Base-Base interactions energy: -152.363
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.239
local terms energy: -83.015190
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -214.168199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.168199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.168199 (E_RNA)
where:
Base-Base interactions energy: -136.820
where: short stacking energy: -60.637
Base-Backbone interact. energy: -0.229
local terms energy: -77.119297
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -204.865338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.865338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.865338 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.180
local terms energy: -76.965923
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -206.836980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.836980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.836980 (E_RNA)
where:
Base-Base interactions energy: -142.985
where: short stacking energy: -72.245
Base-Backbone interact. energy: -0.071
local terms energy: -63.780154
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -194.937712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.937712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.937712 (E_RNA)
where:
Base-Base interactions energy: -126.130
where: short stacking energy: -64.458
Base-Backbone interact. energy: -0.008
local terms energy: -68.799786
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -15.628
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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -191.354070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.354070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.354070 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -60.600
Base-Backbone interact. energy: 0.137
local terms energy: -65.767726
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.464
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: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -84.399948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.399948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.399948 (E_RNA)
where:
Base-Base interactions energy: -25.798
where: short stacking energy: -25.798
Base-Backbone interact. energy: -0.033
local terms energy: -58.568156
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -94.638101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.638101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.638101 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.298
local terms energy: -59.919270
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -8.415
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: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -78.412814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.412814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.412814 (E_RNA)
where:
Base-Base interactions energy: -23.285
where: short stacking energy: -18.143
Base-Backbone interact. energy: -0.925
local terms energy: -54.202846
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.265402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.265402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.265402 (E_RNA)
where:
Base-Base interactions energy: -26.042
where: short stacking energy: -25.048
Base-Backbone interact. energy: -0.060
local terms energy: -47.163755
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -236.658147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.658147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.658147 (E_RNA)
where:
Base-Base interactions energy: -152.076
where: short stacking energy: -73.136
Base-Backbone interact. energy: -0.003
local terms energy: -84.579372
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -230.157988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.157988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.157988 (E_RNA)
where:
Base-Base interactions energy: -155.774
where: short stacking energy: -76.190
Base-Backbone interact. energy: -0.217
local terms energy: -74.167282
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -191.573137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.573137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.573137 (E_RNA)
where:
Base-Base interactions energy: -114.952
where: short stacking energy: -55.534
Base-Backbone interact. energy: -0.001
local terms energy: -76.620960
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -208.029149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.029149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.029149 (E_RNA)
where:
Base-Base interactions energy: -139.819
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.056
local terms energy: -68.154369
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -8.167
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -9.462
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: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -199.674928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.674928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.674928 (E_RNA)
where:
Base-Base interactions energy: -126.902
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.088
local terms energy: -72.685365
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.809
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: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -200.619611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.619611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.619611 (E_RNA)
where:
Base-Base interactions energy: -135.977
where: short stacking energy: -58.020
Base-Backbone interact. energy: -0.306
local terms energy: -64.336050
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -16.626
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: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -89.821189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.821189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.821189 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -23.525
Base-Backbone interact. energy: -0.049
local terms energy: -54.463075
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -78.768537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.768537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.768537 (E_RNA)
where:
Base-Base interactions energy: -24.194
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.082
local terms energy: -54.491842
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -74.175525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.175525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.175525 (E_RNA)
where:
Base-Base interactions energy: -37.349
where: short stacking energy: -31.923
Base-Backbone interact. energy: 0.178
local terms energy: -37.004606
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -84.298636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.298636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.298636 (E_RNA)
where:
Base-Base interactions energy: -37.122
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.384
local terms energy: -46.793027
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: 5.471
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: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -233.971368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.971368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.971368 (E_RNA)
where:
Base-Base interactions energy: -161.702
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.042
local terms energy: -72.227967
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -18.681
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -235.942791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.942791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.942791 (E_RNA)
where:
Base-Base interactions energy: -160.007
where: short stacking energy: -71.834
Base-Backbone interact. energy: -0.001
local terms energy: -75.934848
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -20.730
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: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -215.648290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.648290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.648290 (E_RNA)
where:
Base-Base interactions energy: -140.574
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.007
local terms energy: -75.068093
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -195.269954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.269954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.269954 (E_RNA)
where:
Base-Base interactions energy: -128.292
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.336
local terms energy: -66.641196
where:
bonds (distance) C4'-P energy: -7.819
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -11.639
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: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -207.659257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.659257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.659257 (E_RNA)
where:
Base-Base interactions energy: -129.757
where: short stacking energy: -66.802
Base-Backbone interact. energy: -0.001
local terms energy: -77.901276
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -20.352
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: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -203.615276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.615276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.615276 (E_RNA)
where:
Base-Base interactions energy: -127.878
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.008
local terms energy: -75.729199
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -19.096
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: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -91.942727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.942727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.942727 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.001
local terms energy: -52.623904
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -10.700
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: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -88.242252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.242252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.242252 (E_RNA)
where:
Base-Base interactions energy: -34.412
where: short stacking energy: -34.412
Base-Backbone interact. energy: -0.592
local terms energy: -53.239062
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -70.410397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.410397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.410397 (E_RNA)
where:
Base-Base interactions energy: -22.507
where: short stacking energy: -18.484
Base-Backbone interact. energy: -0.216
local terms energy: -47.688121
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: 2.230
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: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -73.698937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.698937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.698937 (E_RNA)
where:
Base-Base interactions energy: -29.064
where: short stacking energy: -17.769
Base-Backbone interact. energy: -0.149
local terms energy: -44.485981
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -240.364933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.364933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.364933 (E_RNA)
where:
Base-Base interactions energy: -158.304
where: short stacking energy: -77.745
Base-Backbone interact. energy: -0.317
local terms energy: -81.743731
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -22.699
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: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -229.983730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.983730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.983730 (E_RNA)
where:
Base-Base interactions energy: -152.986
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.207
local terms energy: -76.790685
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -200.385534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.385534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.385534 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.032
local terms energy: -66.874623
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -227.610035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.610035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.610035 (E_RNA)
where:
Base-Base interactions energy: -153.488
where: short stacking energy: -77.121
Base-Backbone interact. energy: -0.007
local terms energy: -74.114783
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -21.227
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -180.977300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.977300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.977300 (E_RNA)
where:
Base-Base interactions energy: -110.783
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.144
local terms energy: -70.049675
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -193.986431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986431 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.074
local terms energy: -72.845667
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -15.988
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: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -88.609698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.609698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.609698 (E_RNA)
where:
Base-Base interactions energy: -29.097
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.349
local terms energy: -59.163681
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -87.207153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.207153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.207153 (E_RNA)
where:
Base-Base interactions energy: -37.449
where: short stacking energy: -37.449
Base-Backbone interact. energy: -0.120
local terms energy: -49.638373
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -7.605
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: 9, replica: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -98.893366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.893366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.893366 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -27.189
Base-Backbone interact. energy: -0.664
local terms energy: -53.999394
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -77.444443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.444443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.444443 (E_RNA)
where:
Base-Base interactions energy: -31.997
where: short stacking energy: -13.248
Base-Backbone interact. energy: -0.502
local terms energy: -44.945794
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: 2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -235.076259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.076259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.076259 (E_RNA)
where:
Base-Base interactions energy: -158.389
where: short stacking energy: -77.463
Base-Backbone interact. energy: 0.119
local terms energy: -76.806596
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -227.255667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.255667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.255667 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.407
local terms energy: -77.955649
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -205.128637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.128637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.128637 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -64.356
Base-Backbone interact. energy: 1.081
local terms energy: -72.925848
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -201.875096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.875096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.875096 (E_RNA)
where:
Base-Base interactions energy: -130.593
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.638
local terms energy: -70.643764
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -215.505943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.505943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.505943 (E_RNA)
where:
Base-Base interactions energy: -149.616
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.002
local terms energy: -65.887789
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -19.407
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: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -200.085339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.085339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.085339 (E_RNA)
where:
Base-Base interactions energy: -122.746
where: short stacking energy: -54.447
Base-Backbone interact. energy: -0.047
local terms energy: -77.292104
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -84.793393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.793393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.793393 (E_RNA)
where:
Base-Base interactions energy: -31.525
where: short stacking energy: -30.338
Base-Backbone interact. energy: -0.079
local terms energy: -53.189364
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -78.876375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.876375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.876375 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.123
local terms energy: -47.918512
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -79.010897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.010897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.010897 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.266
local terms energy: -49.494671
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -79.736527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.736527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.736527 (E_RNA)
where:
Base-Base interactions energy: -25.464
where: short stacking energy: -25.564
Base-Backbone interact. energy: -0.010
local terms energy: -54.262918
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -220.315555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.315555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.315555 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.003
local terms energy: -77.270414
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -12.001
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -235.101455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.101455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.101455 (E_RNA)
where:
Base-Base interactions energy: -157.620
where: short stacking energy: -76.404
Base-Backbone interact. energy: -0.165
local terms energy: -77.316921
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -220.262994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.262994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.262994 (E_RNA)
where:
Base-Base interactions energy: -148.128
where: short stacking energy: -68.943
Base-Backbone interact. energy: -0.110
local terms energy: -72.024562
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -199.764152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.764152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.764152 (E_RNA)
where:
Base-Base interactions energy: -128.800
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.252
local terms energy: -70.711872
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -203.893877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.893877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.893877 (E_RNA)
where:
Base-Base interactions energy: -132.195
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.070
local terms energy: -71.628738
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -175.407321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.407321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.407321 (E_RNA)
where:
Base-Base interactions energy: -120.182
where: short stacking energy: -51.501
Base-Backbone interact. energy: -0.022
local terms energy: -55.203129
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -108.684870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.684870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.684870 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -43.391
Base-Backbone interact. energy: -0.009
local terms energy: -65.285065
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -83.213303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.213303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.213303 (E_RNA)
where:
Base-Base interactions energy: -31.388
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.244
local terms energy: -51.581200
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.849
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: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -83.135184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.135184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.135184 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -33.508
Base-Backbone interact. energy: 0.273
local terms energy: -49.582114
where:
bonds (distance) C4'-P energy: -7.847
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -12.238
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: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -80.057938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.057938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.057938 (E_RNA)
where:
Base-Base interactions energy: -27.286
where: short stacking energy: -16.443
Base-Backbone interact. energy: 1.280
local terms energy: -54.052310
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -1.966
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: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -218.969903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.969903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.969903 (E_RNA)
where:
Base-Base interactions energy: -144.888
where: short stacking energy: -71.308
Base-Backbone interact. energy: -0.204
local terms energy: -73.878435
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -10.640
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: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -227.176118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.176118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.176118 (E_RNA)
where:
Base-Base interactions energy: -150.711
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.240
local terms energy: -76.225570
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -10.867
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: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -214.286049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286049 (E_RNA)
where:
Base-Base interactions energy: -141.601
where: short stacking energy: -70.931
Base-Backbone interact. energy: -0.631
local terms energy: -72.054302
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -9.325
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: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -206.911888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.911888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.911888 (E_RNA)
where:
Base-Base interactions energy: -134.478
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.014
local terms energy: -72.420162
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -196.829984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.829984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.829984 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.008
local terms energy: -69.753369
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -14.451
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: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -182.618484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.618484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.618484 (E_RNA)
where:
Base-Base interactions energy: -128.133
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.104
local terms energy: -54.381580
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -98.882694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.882694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.882694 (E_RNA)
where:
Base-Base interactions energy: -45.196
where: short stacking energy: -45.196
Base-Backbone interact. energy: -0.072
local terms energy: -53.615117
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -88.916880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.916880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.916880 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -32.559
Base-Backbone interact. energy: -0.002
local terms energy: -56.356514
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -81.440155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.440155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.440155 (E_RNA)
where:
Base-Base interactions energy: -24.593
where: short stacking energy: -24.654
Base-Backbone interact. energy: -0.258
local terms energy: -56.588848
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -11.510
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: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -71.911317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.911317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.911317 (E_RNA)
where:
Base-Base interactions energy: -30.953
where: short stacking energy: -30.533
Base-Backbone interact. energy: -0.061
local terms energy: -40.897658
where:
bonds (distance) C4'-P energy: -4.366
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -229.854493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.854493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.854493 (E_RNA)
where:
Base-Base interactions energy: -151.474
where: short stacking energy: -78.587
Base-Backbone interact. energy: -0.000
local terms energy: -78.379729
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -228.534842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.534842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.534842 (E_RNA)
where:
Base-Base interactions energy: -152.174
where: short stacking energy: -76.163
Base-Backbone interact. energy: -0.122
local terms energy: -76.239397
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.334
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -204.041270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.041270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.041270 (E_RNA)
where:
Base-Base interactions energy: -134.329
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.136
local terms energy: -69.575975
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -210.981516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.981516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.981516 (E_RNA)
where:
Base-Base interactions energy: -133.264
where: short stacking energy: -68.560
Base-Backbone interact. energy: -0.025
local terms energy: -77.693216
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -11.976
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: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -200.418364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.418364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.418364 (E_RNA)
where:
Base-Base interactions energy: -134.483
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.234
local terms energy: -65.700920
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -196.182218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.182218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.182218 (E_RNA)
where:
Base-Base interactions energy: -126.290
where: short stacking energy: -56.673
Base-Backbone interact. energy: -0.571
local terms energy: -69.321346
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -96.955331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.955331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.955331 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.127
local terms energy: -51.841351
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -7.259
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: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -76.779219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.779219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.779219 (E_RNA)
where:
Base-Base interactions energy: -28.297
where: short stacking energy: -21.626
Base-Backbone interact. energy: -0.199
local terms energy: -48.283613
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -91.275015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.275015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.275015 (E_RNA)
where:
Base-Base interactions energy: -39.144
where: short stacking energy: -34.758
Base-Backbone interact. energy: -0.128
local terms energy: -52.002443
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -9.526
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: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -77.667660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.667660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.667660 (E_RNA)
where:
Base-Base interactions energy: -30.239
where: short stacking energy: -29.426
Base-Backbone interact. energy: -0.074
local terms energy: -47.354451
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -6.935
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -222.996927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.996927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.996927 (E_RNA)
where:
Base-Base interactions energy: -150.558
where: short stacking energy: -68.164
Base-Backbone interact. energy: -0.503
local terms energy: -71.935476
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -225.613505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.613505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.613505 (E_RNA)
where:
Base-Base interactions energy: -142.883
where: short stacking energy: -77.134
Base-Backbone interact. energy: -0.005
local terms energy: -82.725973
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -12.555
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: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -211.964966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.964966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.964966 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -66.051
Base-Backbone interact. energy: -0.069
local terms energy: -70.075798
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.665
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: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -193.330094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.330094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.330094 (E_RNA)
where:
Base-Base interactions energy: -134.083
where: short stacking energy: -58.634
Base-Backbone interact. energy: -0.172
local terms energy: -59.075847
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -14.747
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: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -177.652029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.652029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.652029 (E_RNA)
where:
Base-Base interactions energy: -117.650
where: short stacking energy: -63.623
Base-Backbone interact. energy: -0.007
local terms energy: -59.995115
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -201.322007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.322007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.322007 (E_RNA)
where:
Base-Base interactions energy: -130.020
where: short stacking energy: -66.245
Base-Backbone interact. energy: -0.008
local terms energy: -71.293966
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -93.971377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.971377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.971377 (E_RNA)
where:
Base-Base interactions energy: -37.662
where: short stacking energy: -29.128
Base-Backbone interact. energy: -0.113
local terms energy: -56.196224
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -82.272999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.272999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.272999 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -23.830
Base-Backbone interact. energy: -1.213
local terms energy: -49.056260
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -0.473
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: 295
Temperature: 1.300000
Total energy: -91.133654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.133654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.133654 (E_RNA)
where:
Base-Base interactions energy: -35.685
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.003
local terms energy: -55.444866
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -102.303060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.303060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.303060 (E_RNA)
where:
Base-Base interactions energy: -57.544
where: short stacking energy: -30.097
Base-Backbone interact. energy: 0.008
local terms energy: -44.766873
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -7.355
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -231.110435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.110435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.110435 (E_RNA)
where:
Base-Base interactions energy: -160.952
where: short stacking energy: -76.414
Base-Backbone interact. energy: -0.177
local terms energy: -69.982070
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -226.836911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.836911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.836911 (E_RNA)
where:
Base-Base interactions energy: -150.741
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.756
local terms energy: -75.340380
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -21.544
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: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -192.856261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.856261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.856261 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -68.241
Base-Backbone interact. energy: -0.000
local terms energy: -64.338573
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -3.487
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -206.523228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.523228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.523228 (E_RNA)
where:
Base-Base interactions energy: -135.391
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.110
local terms energy: -71.021420
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -196.959592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.959592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.959592 (E_RNA)
where:
Base-Base interactions energy: -127.246
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.088
local terms energy: -69.625560
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -15.813
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: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -139.560003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.560003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.560003 (E_RNA)
where:
Base-Base interactions energy: -95.900
where: short stacking energy: -41.582
Base-Backbone interact. energy: -0.287
local terms energy: -43.372687
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -5.217
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: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -93.213949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.213949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.213949 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.210
local terms energy: -59.588818
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -100.663036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.663036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.663036 (E_RNA)
where:
Base-Base interactions energy: -52.401
where: short stacking energy: -42.116
Base-Backbone interact. energy: -0.081
local terms energy: -48.181360
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -6.474
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -6.994
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: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -83.201943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.201943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.201943 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -33.764
Base-Backbone interact. energy: -0.203
local terms energy: -48.696100
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -80.401993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401993 (E_RNA)
where:
Base-Base interactions energy: -44.725
where: short stacking energy: -19.957
Base-Backbone interact. energy: -0.192
local terms energy: -35.485133
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: 5.359
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: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -228.479548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.479548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.479548 (E_RNA)
where:
Base-Base interactions energy: -147.249
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.095
local terms energy: -81.135156
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -235.846809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.846809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.846809 (E_RNA)
where:
Base-Base interactions energy: -156.899
where: short stacking energy: -77.586
Base-Backbone interact. energy: -0.008
local terms energy: -78.940263
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -20.160
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: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -222.483951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.483951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.483951 (E_RNA)
where:
Base-Base interactions energy: -150.837
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.241
local terms energy: -71.405767
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -18.738
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: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -205.461309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.461309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.461309 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -60.185
Base-Backbone interact. energy: -0.009
local terms energy: -75.364116
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -188.296449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.296449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.296449 (E_RNA)
where:
Base-Base interactions energy: -118.323
where: short stacking energy: -51.429
Base-Backbone interact. energy: -0.036
local terms energy: -69.937759
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -103.860897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.860897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.860897 (E_RNA)
where:
Base-Base interactions energy: -44.188
where: short stacking energy: -44.188
Base-Backbone interact. energy: -0.005
local terms energy: -59.667339
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -87.856308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.856308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.856308 (E_RNA)
where:
Base-Base interactions energy: -39.374
where: short stacking energy: -20.096
Base-Backbone interact. energy: -0.103
local terms energy: -48.379868
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -1.332
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: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -94.859735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.859735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.859735 (E_RNA)
where:
Base-Base interactions energy: -42.705
where: short stacking energy: -35.029
Base-Backbone interact. energy: -0.260
local terms energy: -51.894619
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -81.639684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.639684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.639684 (E_RNA)
where:
Base-Base interactions energy: -34.168
where: short stacking energy: -31.529
Base-Backbone interact. energy: 0.739
local terms energy: -48.210377
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -74.280492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.280492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.280492 (E_RNA)
where:
Base-Base interactions energy: -24.033
where: short stacking energy: -20.085
Base-Backbone interact. energy: 2.416
local terms energy: -52.662592
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: 3.433
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: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -233.829159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829159 (E_RNA)
where:
Base-Base interactions energy: -157.221
where: short stacking energy: -75.443
Base-Backbone interact. energy: -0.004
local terms energy: -76.603567
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -21.216
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: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -229.494314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.494314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.494314 (E_RNA)
where:
Base-Base interactions energy: -152.179
where: short stacking energy: -74.495
Base-Backbone interact. energy: -0.127
local terms energy: -77.188103
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -227.261480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.261480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.261480 (E_RNA)
where:
Base-Base interactions energy: -148.980
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.430
local terms energy: -77.851418
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -204.805384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.805384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.805384 (E_RNA)
where:
Base-Base interactions energy: -130.369
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.108
local terms energy: -74.328255
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -203.071926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.071926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.071926 (E_RNA)
where:
Base-Base interactions energy: -126.874
where: short stacking energy: -62.560
Base-Backbone interact. energy: -0.233
local terms energy: -75.964400
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -93.040744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.040744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.040744 (E_RNA)
where:
Base-Base interactions energy: -35.485
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.140
local terms energy: -57.415599
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -111.618880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.618880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.618880 (E_RNA)
where:
Base-Base interactions energy: -54.542
where: short stacking energy: -42.106
Base-Backbone interact. energy: -0.278
local terms energy: -56.798854
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -80.068311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.068311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.068311 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -28.422
Base-Backbone interact. energy: -0.067
local terms energy: -49.221449
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -3.665
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: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -92.331168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.331168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.331168 (E_RNA)
where:
Base-Base interactions energy: -47.727
where: short stacking energy: -19.952
Base-Backbone interact. energy: -0.136
local terms energy: -44.467463
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -1.569
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -74.075742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.075742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.075742 (E_RNA)
where:
Base-Base interactions energy: -29.491
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.121
local terms energy: -44.463839
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -231.854994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.854994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.854994 (E_RNA)
where:
Base-Base interactions energy: -159.670
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.005
local terms energy: -72.179649
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -22.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -233.095020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.095020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.095020 (E_RNA)
where:
Base-Base interactions energy: -155.898
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.003
local terms energy: -77.194247
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -220.197077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.197077 (E_RNA)
where:
Base-Base interactions energy: -146.317
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.077
local terms energy: -73.803083
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -200.878309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878309 (E_RNA)
where:
Base-Base interactions energy: -131.055
where: short stacking energy: -57.654
Base-Backbone interact. energy: -0.315
local terms energy: -69.508449
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.313
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -181.268651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.268651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.268651 (E_RNA)
where:
Base-Base interactions energy: -109.080
where: short stacking energy: -56.218
Base-Backbone interact. energy: 0.834
local terms energy: -73.022874
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -93.371183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.371183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.371183 (E_RNA)
where:
Base-Base interactions energy: -40.862
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.401
local terms energy: -52.108616
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.321
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: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -96.247771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.247771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.247771 (E_RNA)
where:
Base-Base interactions energy: -43.098
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.010
local terms energy: -53.140048
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -88.561552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.561552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.561552 (E_RNA)
where:
Base-Base interactions energy: -42.203
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.300
local terms energy: -46.058702
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: 1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -78.675222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.675222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.675222 (E_RNA)
where:
Base-Base interactions energy: -27.390
where: short stacking energy: -25.988
Base-Backbone interact. energy: -0.209
local terms energy: -51.075751
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -99.132512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.132512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.132512 (E_RNA)
where:
Base-Base interactions energy: -51.045
where: short stacking energy: -22.893
Base-Backbone interact. energy: -0.078
local terms energy: -48.009257
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -2.199
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -236.304411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.304411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.304411 (E_RNA)
where:
Base-Base interactions energy: -152.556
where: short stacking energy: -72.274
Base-Backbone interact. energy: 0.481
local terms energy: -84.229382
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -232.290523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.290523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.290523 (E_RNA)
where:
Base-Base interactions energy: -159.655
where: short stacking energy: -78.368
Base-Backbone interact. energy: -0.584
local terms energy: -72.051821
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.451
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: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -202.487873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.487873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.487873 (E_RNA)
where:
Base-Base interactions energy: -127.911
where: short stacking energy: -60.100
Base-Backbone interact. energy: 0.268
local terms energy: -74.844976
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -217.657083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.657083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.657083 (E_RNA)
where:
Base-Base interactions energy: -147.241
where: short stacking energy: -70.316
Base-Backbone interact. energy: -0.000
local terms energy: -70.415696
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -19.841
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: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -181.235819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.235819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.235819 (E_RNA)
where:
Base-Base interactions energy: -116.527
where: short stacking energy: -50.785
Base-Backbone interact. energy: -0.081
local terms energy: -64.627974
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -91.422563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.422563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.422563 (E_RNA)
where:
Base-Base interactions energy: -36.426
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.180
local terms energy: -54.817044
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -93.217023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.217023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.217023 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -38.101
Base-Backbone interact. energy: -0.042
local terms energy: -55.074496
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -1.020
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -88.448329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.448329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.448329 (E_RNA)
where:
Base-Base interactions energy: -26.716
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.219
local terms energy: -61.513123
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -4.785
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: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -95.971121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.971121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.971121 (E_RNA)
where:
Base-Base interactions energy: -47.908
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.472
local terms energy: -47.591130
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -77.243573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.243573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.243573 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.060
local terms energy: -39.332240
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -2.363
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -5.597
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: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -235.795072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.795072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.795072 (E_RNA)
where:
Base-Base interactions energy: -156.262
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.002
local terms energy: -79.531442
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -229.857091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.857091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.857091 (E_RNA)
where:
Base-Base interactions energy: -154.833
where: short stacking energy: -75.419
Base-Backbone interact. energy: 0.758
local terms energy: -75.782873
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.957
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: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -202.939487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.939487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.939487 (E_RNA)
where:
Base-Base interactions energy: -134.973
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.003
local terms energy: -67.963475
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -216.982592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.982592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.982592 (E_RNA)
where:
Base-Base interactions energy: -144.427
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.125
local terms energy: -72.430374
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -169.988285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.988285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.988285 (E_RNA)
where:
Base-Base interactions energy: -107.739
where: short stacking energy: -56.268
Base-Backbone interact. energy: -0.059
local terms energy: -62.190964
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -10.533
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: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -90.445365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.445365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.445365 (E_RNA)
where:
Base-Base interactions energy: -39.475
where: short stacking energy: -20.790
Base-Backbone interact. energy: -0.164
local terms energy: -50.806049
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -96.429311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429311 (E_RNA)
where:
Base-Base interactions energy: -43.809
where: short stacking energy: -26.769
Base-Backbone interact. energy: -0.028
local terms energy: -52.592043
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -91.759308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.759308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.759308 (E_RNA)
where:
Base-Base interactions energy: -37.107
where: short stacking energy: -31.861
Base-Backbone interact. energy: -0.137
local terms energy: -54.515147
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.295
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: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -81.757192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.757192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.757192 (E_RNA)
where:
Base-Base interactions energy: -29.803
where: short stacking energy: -29.803
Base-Backbone interact. energy: -0.427
local terms energy: -51.527240
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -77.799634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.799634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.799634 (E_RNA)
where:
Base-Base interactions energy: -27.575
where: short stacking energy: -27.265
Base-Backbone interact. energy: -0.003
local terms energy: -50.222023
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -240.503802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.503802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.503802 (E_RNA)
where:
Base-Base interactions energy: -166.263
where: short stacking energy: -76.638
Base-Backbone interact. energy: -0.001
local terms energy: -74.240570
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.024
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: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -233.881822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.881822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.881822 (E_RNA)
where:
Base-Base interactions energy: -156.950
where: short stacking energy: -75.068
Base-Backbone interact. energy: -0.001
local terms energy: -76.930557
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -23.037
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: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -206.243320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.243320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.243320 (E_RNA)
where:
Base-Base interactions energy: -133.149
where: short stacking energy: -58.010
Base-Backbone interact. energy: -0.616
local terms energy: -72.478420
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -202.591287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.591287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.591287 (E_RNA)
where:
Base-Base interactions energy: -133.082
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.558
local terms energy: -68.951457
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -184.150339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.150339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.150339 (E_RNA)
where:
Base-Base interactions energy: -112.243
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.285
local terms energy: -71.622666
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -85.941344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.941344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.941344 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -39.593
Base-Backbone interact. energy: -0.032
local terms energy: -46.316248
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: -6.568
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: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -79.800256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.800256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.800256 (E_RNA)
where:
Base-Base interactions energy: -27.239
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.136
local terms energy: -52.424844
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.441
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: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -81.052038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.052038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.052038 (E_RNA)
where:
Base-Base interactions energy: -29.118
where: short stacking energy: -27.079
Base-Backbone interact. energy: -0.168
local terms energy: -51.765871
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -79.522351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522351 (E_RNA)
where:
Base-Base interactions energy: -26.103
where: short stacking energy: -24.835
Base-Backbone interact. energy: -0.079
local terms energy: -53.340894
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -75.187109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.187109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.187109 (E_RNA)
where:
Base-Base interactions energy: -17.514
where: short stacking energy: -17.514
Base-Backbone interact. energy: -0.090
local terms energy: -57.582949
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.566
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: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -228.368633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.368633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.368633 (E_RNA)
where:
Base-Base interactions energy: -145.532
where: short stacking energy: -79.002
Base-Backbone interact. energy: -0.063
local terms energy: -82.774185
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -229.105457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105457 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -75.198
Base-Backbone interact. energy: -0.000
local terms energy: -78.398769
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -228.687449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.687449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.687449 (E_RNA)
where:
Base-Base interactions energy: -155.524
where: short stacking energy: -70.085
Base-Backbone interact. energy: -0.301
local terms energy: -72.862116
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -20.322
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: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -203.617578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.617578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.617578 (E_RNA)
where:
Base-Base interactions energy: -130.253
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.006
local terms energy: -73.358906
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -195.912272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.912272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.912272 (E_RNA)
where:
Base-Base interactions energy: -124.145
where: short stacking energy: -51.284
Base-Backbone interact. energy: -0.916
local terms energy: -70.851559
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -88.745118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.745118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.745118 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.093
local terms energy: -51.994848
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -87.576540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.576540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.576540 (E_RNA)
where:
Base-Base interactions energy: -28.717
where: short stacking energy: -28.717
Base-Backbone interact. energy: -0.109
local terms energy: -58.750929
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -7.513
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: 303
Temperature: 1.250000
Total energy: -81.323568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.323568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.323568 (E_RNA)
where:
Base-Base interactions energy: -27.129
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.044
local terms energy: -54.150891
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -77.412299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412299 (E_RNA)
where:
Base-Base interactions energy: -24.095
where: short stacking energy: -24.095
Base-Backbone interact. energy: -0.074
local terms energy: -53.243550
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -81.266615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.266615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.266615 (E_RNA)
where:
Base-Base interactions energy: -26.674
where: short stacking energy: -25.658
Base-Backbone interact. energy: 0.029
local terms energy: -54.621261
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -235.495342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.495342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.495342 (E_RNA)
where:
Base-Base interactions energy: -158.738
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.001
local terms energy: -76.756812
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -22.469
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: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -220.117776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.117776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.117776 (E_RNA)
where:
Base-Base interactions energy: -141.770
where: short stacking energy: -66.386
Base-Backbone interact. energy: -0.735
local terms energy: -77.612952
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -223.603493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.603493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.603493 (E_RNA)
where:
Base-Base interactions energy: -145.229
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.001
local terms energy: -78.374050
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -20.151
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: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -206.820211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.820211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.820211 (E_RNA)
where:
Base-Base interactions energy: -130.803
where: short stacking energy: -61.661
Base-Backbone interact. energy: 0.163
local terms energy: -76.180212
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -196.879208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.879208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.879208 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.042
local terms energy: -72.000163
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -112.103390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.103390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.103390 (E_RNA)
where:
Base-Base interactions energy: -49.578
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.027
local terms energy: -62.498777
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -91.973950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.973950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.973950 (E_RNA)
where:
Base-Base interactions energy: -42.429
where: short stacking energy: -42.429
Base-Backbone interact. energy: -0.213
local terms energy: -49.331750
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -89.944461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.944461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.944461 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -31.802
Base-Backbone interact. energy: -0.075
local terms energy: -58.067797
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -9.840
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: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -80.930960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.930960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.930960 (E_RNA)
where:
Base-Base interactions energy: -31.736
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.672
local terms energy: -48.523396
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -74.812484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.812484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.812484 (E_RNA)
where:
Base-Base interactions energy: -30.302
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.026
local terms energy: -44.484141
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -233.630714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.630714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.630714 (E_RNA)
where:
Base-Base interactions energy: -156.297
where: short stacking energy: -77.979
Base-Backbone interact. energy: -0.001
local terms energy: -77.332042
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -20.604
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: 305
Temperature: 0.950000
Total energy: -233.327399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.327399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.327399 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.001
local terms energy: -79.879056
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -21.723
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -236.320667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.320667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.320667 (E_RNA)
where:
Base-Base interactions energy: -162.844
where: short stacking energy: -73.353
Base-Backbone interact. energy: -0.124
local terms energy: -73.352848
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -199.324255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.324255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.324255 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.110
local terms energy: -73.747801
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -17.043
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: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -193.430887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.430887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.430887 (E_RNA)
where:
Base-Base interactions energy: -118.346
where: short stacking energy: -51.645
Base-Backbone interact. energy: 0.793
local terms energy: -75.878301
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -97.006294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.006294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.006294 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -28.243
Base-Backbone interact. energy: -0.220
local terms energy: -55.081340
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -97.488600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.488600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.488600 (E_RNA)
where:
Base-Base interactions energy: -41.634
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.145
local terms energy: -55.709031
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -7.422
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: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -85.971131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.971131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.971131 (E_RNA)
where:
Base-Base interactions energy: -36.088
where: short stacking energy: -36.088
Base-Backbone interact. energy: -0.056
local terms energy: -49.827475
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -83.237216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.237216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.237216 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.111
local terms energy: -47.367076
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -9.156
flat angles C4'-P-C4' energy: -5.255
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -7.086
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: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -85.719330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.719330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.719330 (E_RNA)
where:
Base-Base interactions energy: -32.089
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.053
local terms energy: -53.576591
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -9.419
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -6.608
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: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -237.663993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.663993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.663993 (E_RNA)
where:
Base-Base interactions energy: -161.262
where: short stacking energy: -78.115
Base-Backbone interact. energy: 2.228
local terms energy: -78.630340
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -21.848
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: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -236.360403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.360403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.360403 (E_RNA)
where:
Base-Base interactions energy: -160.049
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.003
local terms energy: -76.307886
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -208.442394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.442394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.442394 (E_RNA)
where:
Base-Base interactions energy: -131.385
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.283
local terms energy: -76.773925
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -223.600487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.600487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.600487 (E_RNA)
where:
Base-Base interactions energy: -160.659
where: short stacking energy: -77.106
Base-Backbone interact. energy: -0.056
local terms energy: -62.884926
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -21.183
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: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -200.063038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.063038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.063038 (E_RNA)
where:
Base-Base interactions energy: -123.104
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.000
local terms energy: -76.958401
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -10.896
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: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -93.082665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.082665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.082665 (E_RNA)
where:
Base-Base interactions energy: -43.022
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.213
local terms energy: -49.847725
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -8.018
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: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -111.262362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.262362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.262362 (E_RNA)
where:
Base-Base interactions energy: -59.504
where: short stacking energy: -35.493
Base-Backbone interact. energy: 0.629
local terms energy: -52.387165
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -73.051771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.051771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.051771 (E_RNA)
where:
Base-Base interactions energy: -24.557
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.234
local terms energy: -48.260382
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -5.511
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: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -86.060656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.060656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.060656 (E_RNA)
where:
Base-Base interactions energy: -31.672
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.196
local terms energy: -54.192585
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -73.358603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.358603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.358603 (E_RNA)
where:
Base-Base interactions energy: -23.008
where: short stacking energy: -21.558
Base-Backbone interact. energy: 0.297
local terms energy: -50.647506
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -232.072415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.072415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.072415 (E_RNA)
where:
Base-Base interactions energy: -149.146
where: short stacking energy: -72.697
Base-Backbone interact. energy: -0.090
local terms energy: -82.836243
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -229.224430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.224430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.224430 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -71.656
Base-Backbone interact. energy: -0.003
local terms energy: -85.088343
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -207.561572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.561572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.561572 (E_RNA)
where:
Base-Base interactions energy: -137.673
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.013
local terms energy: -69.875866
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -9.972
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -215.491919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.491919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.491919 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -68.124
Base-Backbone interact. energy: -1.581
local terms energy: -73.161895
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -21.678
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: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -213.072604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072604 (E_RNA)
where:
Base-Base interactions energy: -139.178
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.011
local terms energy: -73.884342
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -143.164528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.164528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.164528 (E_RNA)
where:
Base-Base interactions energy: -92.515
where: short stacking energy: -40.094
Base-Backbone interact. energy: -0.145
local terms energy: -50.503990
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -84.399161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.399161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.399161 (E_RNA)
where:
Base-Base interactions energy: -34.886
where: short stacking energy: -33.141
Base-Backbone interact. energy: -0.092
local terms energy: -49.420769
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -4.685
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: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -88.450109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450109 (E_RNA)
where:
Base-Base interactions energy: -38.935
where: short stacking energy: -24.074
Base-Backbone interact. energy: -0.062
local terms energy: -49.453641
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -6.727
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: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -84.939452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939452 (E_RNA)
where:
Base-Base interactions energy: -31.624
where: short stacking energy: -26.446
Base-Backbone interact. energy: -0.025
local terms energy: -53.289951
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -74.659014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.659014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.659014 (E_RNA)
where:
Base-Base interactions energy: -21.990
where: short stacking energy: -21.990
Base-Backbone interact. energy: -0.071
local terms energy: -52.598105
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -7.810
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -220.923047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.923047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.923047 (E_RNA)
where:
Base-Base interactions energy: -141.108
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.769
local terms energy: -79.046240
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -18.820
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -225.225079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.225079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.225079 (E_RNA)
where:
Base-Base interactions energy: -150.884
where: short stacking energy: -75.374
Base-Backbone interact. energy: -0.003
local terms energy: -74.338549
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.565
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: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -230.601189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.601189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.601189 (E_RNA)
where:
Base-Base interactions energy: -154.356
where: short stacking energy: -74.115
Base-Backbone interact. energy: -0.003
local terms energy: -76.242214
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -215.671095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.671095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.671095 (E_RNA)
where:
Base-Base interactions energy: -141.780
where: short stacking energy: -73.134
Base-Backbone interact. energy: 0.728
local terms energy: -74.619525
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -183.330906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.330906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.330906 (E_RNA)
where:
Base-Base interactions energy: -118.534
where: short stacking energy: -49.090
Base-Backbone interact. energy: -0.073
local terms energy: -64.724170
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -12.493
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: 308
Temperature: 1.150000
Total energy: -159.597600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.597600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.597600 (E_RNA)
where:
Base-Base interactions energy: -99.170
where: short stacking energy: -45.917
Base-Backbone interact. energy: -0.096
local terms energy: -60.331518
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.684
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: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -93.500820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.500820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.500820 (E_RNA)
where:
Base-Base interactions energy: -41.334
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.169
local terms energy: -51.998272
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -1.368
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -88.927393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927393 (E_RNA)
where:
Base-Base interactions energy: -36.239
where: short stacking energy: -32.571
Base-Backbone interact. energy: 0.276
local terms energy: -52.964892
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -90.556564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.556564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.556564 (E_RNA)
where:
Base-Base interactions energy: -44.312
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.088
local terms energy: -46.156505
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -6.244
flat angles P-C4'-P energy: -3.442
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -74.589686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.589686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.589686 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -24.022
Base-Backbone interact. energy: -0.227
local terms energy: -37.194028
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -0.291
tors. eta vs tors. theta energy: 3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -227.426786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.426786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.426786 (E_RNA)
where:
Base-Base interactions energy: -153.988
where: short stacking energy: -74.019
Base-Backbone interact. energy: -0.001
local terms energy: -73.437832
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -227.597280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.597280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.597280 (E_RNA)
where:
Base-Base interactions energy: -154.758
where: short stacking energy: -76.035
Base-Backbone interact. energy: -0.003
local terms energy: -72.835875
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -19.207
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: 309
Temperature: 1.000000
Total energy: -229.475359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.475359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.475359 (E_RNA)
where:
Base-Base interactions energy: -151.385
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.281
local terms energy: -77.809309
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -19.950
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: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -181.561672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.561672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.561672 (E_RNA)
where:
Base-Base interactions energy: -110.381
where: short stacking energy: -53.292
Base-Backbone interact. energy: -0.034
local terms energy: -71.147006
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -15.024
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: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -190.842932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.842932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842932 (E_RNA)
where:
Base-Base interactions energy: -121.753
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.005
local terms energy: -69.084898
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -89.778329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.778329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.778329 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -35.319
Base-Backbone interact. energy: -0.417
local terms energy: -54.042430
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -96.389326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.389326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.389326 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.312
local terms energy: -52.181244
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -80.192998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.192998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.192998 (E_RNA)
where:
Base-Base interactions energy: -26.054
where: short stacking energy: -24.848
Base-Backbone interact. energy: -0.763
local terms energy: -53.376125
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -9.421
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: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -77.148784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.148784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.148784 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.060
local terms energy: -46.962519
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -9.018
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -74.739657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.739657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.739657 (E_RNA)
where:
Base-Base interactions energy: -27.842
where: short stacking energy: -23.890
Base-Backbone interact. energy: -0.181
local terms energy: -46.717094
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -2.438
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: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -237.411650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.411650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.411650 (E_RNA)
where:
Base-Base interactions energy: -162.465
where: short stacking energy: -75.625
Base-Backbone interact. energy: -0.406
local terms energy: -74.540285
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -218.407167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.407167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.407167 (E_RNA)
where:
Base-Base interactions energy: -146.104
where: short stacking energy: -77.839
Base-Backbone interact. energy: -0.018
local terms energy: -72.284799
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -231.619985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.619985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.619985 (E_RNA)
where:
Base-Base interactions energy: -155.171
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.062
local terms energy: -76.387360
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -179.688940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.688940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.688940 (E_RNA)
where:
Base-Base interactions energy: -114.050
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.288
local terms energy: -65.350604
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -202.448027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.448027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.448027 (E_RNA)
where:
Base-Base interactions energy: -126.292
where: short stacking energy: -65.406
Base-Backbone interact. energy: 0.098
local terms energy: -76.254376
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -12.003
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: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -85.459544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.459544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.459544 (E_RNA)
where:
Base-Base interactions energy: -31.492
where: short stacking energy: -30.612
Base-Backbone interact. energy: -0.255
local terms energy: -53.712236
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -81.894873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.894873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.894873 (E_RNA)
where:
Base-Base interactions energy: -28.589
where: short stacking energy: -27.166
Base-Backbone interact. energy: -0.162
local terms energy: -53.144064
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -0.990
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: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -82.912911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.912911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.912911 (E_RNA)
where:
Base-Base interactions energy: -33.010
where: short stacking energy: -24.423
Base-Backbone interact. energy: -0.432
local terms energy: -49.471273
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -79.991105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.991105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.991105 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -24.801
Base-Backbone interact. energy: -0.214
local terms energy: -54.976197
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -3.486
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -81.768257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.768257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.768257 (E_RNA)
where:
Base-Base interactions energy: -32.517
where: short stacking energy: -23.210
Base-Backbone interact. energy: -0.183
local terms energy: -49.068566
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -7.955
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -232.278232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.278232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.278232 (E_RNA)
where:
Base-Base interactions energy: -155.479
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.003
local terms energy: -76.796859
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -19.757
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: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -231.430261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.430261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.430261 (E_RNA)
where:
Base-Base interactions energy: -151.859
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.010
local terms energy: -79.561499
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.517
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: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -212.910212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.910212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.910212 (E_RNA)
where:
Base-Base interactions energy: -132.918
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.261
local terms energy: -79.731036
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -204.898570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.898570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.898570 (E_RNA)
where:
Base-Base interactions energy: -135.554
where: short stacking energy: -65.533
Base-Backbone interact. energy: -0.075
local terms energy: -69.269688
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -16.180
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: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -167.841769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.841769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.841769 (E_RNA)
where:
Base-Base interactions energy: -99.959
where: short stacking energy: -37.301
Base-Backbone interact. energy: -0.237
local terms energy: -67.645323
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -113.868011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.868011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.868011 (E_RNA)
where:
Base-Base interactions energy: -54.319
where: short stacking energy: -39.730
Base-Backbone interact. energy: -0.053
local terms energy: -59.496576
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -10.005
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: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -81.189756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.189756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.189756 (E_RNA)
where:
Base-Base interactions energy: -32.449
where: short stacking energy: -32.449
Base-Backbone interact. energy: -0.149
local terms energy: -48.592682
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -5.838
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: 311
Temperature: 1.250000
Total energy: -80.767558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767558 (E_RNA)
where:
Base-Base interactions energy: -33.591
where: short stacking energy: -32.355
Base-Backbone interact. energy: -0.354
local terms energy: -46.823258
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -76.284575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.284575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.284575 (E_RNA)
where:
Base-Base interactions energy: -40.132
where: short stacking energy: -34.061
Base-Backbone interact. energy: 1.241
local terms energy: -37.393575
where:
bonds (distance) C4'-P energy: -5.888
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -90.604046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.604046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.604046 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -22.130
Base-Backbone interact. energy: -0.331
local terms energy: -45.313923
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -231.983220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.983220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.983220 (E_RNA)
where:
Base-Base interactions energy: -152.995
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.011
local terms energy: -78.976703
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -231.733197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.733197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.733197 (E_RNA)
where:
Base-Base interactions energy: -160.840
where: short stacking energy: -69.383
Base-Backbone interact. energy: -0.407
local terms energy: -70.485501
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -12.658
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: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -224.376752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.376752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.376752 (E_RNA)
where:
Base-Base interactions energy: -151.266
where: short stacking energy: -76.535
Base-Backbone interact. energy: -0.001
local terms energy: -73.110246
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -204.159554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.159554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.159554 (E_RNA)
where:
Base-Base interactions energy: -134.701
where: short stacking energy: -69.596
Base-Backbone interact. energy: 0.729
local terms energy: -70.187184
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -200.791726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.791726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.791726 (E_RNA)
where:
Base-Base interactions energy: -124.273
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.219
local terms energy: -76.299985
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -106.182068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.182068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.182068 (E_RNA)
where:
Base-Base interactions energy: -57.110
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.554
local terms energy: -48.518197
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -94.718682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.718682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.718682 (E_RNA)
where:
Base-Base interactions energy: -35.133
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.248
local terms energy: -59.337285
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -73.043840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.043840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.043840 (E_RNA)
where:
Base-Base interactions energy: -28.535
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.192
local terms energy: -44.316332
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -76.446043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.446043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.446043 (E_RNA)
where:
Base-Base interactions energy: -28.217
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.009
local terms energy: -48.219956
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -91.383940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.383940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.383940 (E_RNA)
where:
Base-Base interactions energy: -40.887
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.078
local terms energy: -50.419292
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -237.413243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.413243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.413243 (E_RNA)
where:
Base-Base interactions energy: -162.164
where: short stacking energy: -74.561
Base-Backbone interact. energy: -0.064
local terms energy: -75.185255
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -218.943403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.943403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.943403 (E_RNA)
where:
Base-Base interactions energy: -140.500
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.001
local terms energy: -78.442723
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -231.575955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.575955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.575955 (E_RNA)
where:
Base-Base interactions energy: -159.025
where: short stacking energy: -73.027
Base-Backbone interact. energy: 0.858
local terms energy: -73.408489
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -8.923
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: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -202.178415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.178415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.178415 (E_RNA)
where:
Base-Base interactions energy: -125.543
where: short stacking energy: -56.402
Base-Backbone interact. energy: -0.417
local terms energy: -76.218945
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -12.452
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: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -204.244817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244817 (E_RNA)
where:
Base-Base interactions energy: -138.145
where: short stacking energy: -57.146
Base-Backbone interact. energy: 2.369
local terms energy: -68.469121
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -15.305
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: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -107.082875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.082875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.082875 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -33.358
Base-Backbone interact. energy: -0.656
local terms energy: -60.546603
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -89.243392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.243392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.243392 (E_RNA)
where:
Base-Base interactions energy: -29.383
where: short stacking energy: -22.804
Base-Backbone interact. energy: -0.208
local terms energy: -59.652223
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -85.669163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669163 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.014
local terms energy: -52.665538
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -11.438
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: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -79.656452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.656452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.656452 (E_RNA)
where:
Base-Base interactions energy: -22.778
where: short stacking energy: -19.341
Base-Backbone interact. energy: -0.712
local terms energy: -56.166634
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -87.139576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.139576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.139576 (E_RNA)
where:
Base-Base interactions energy: -43.285
where: short stacking energy: -29.158
Base-Backbone interact. energy: 1.288
local terms energy: -45.142071
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -4.198
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: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -230.832223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.832223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.832223 (E_RNA)
where:
Base-Base interactions energy: -150.440
where: short stacking energy: -68.837
Base-Backbone interact. energy: -0.214
local terms energy: -80.178717
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -23.804
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: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -225.595319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.595319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.595319 (E_RNA)
where:
Base-Base interactions energy: -153.382
where: short stacking energy: -71.705
Base-Backbone interact. energy: -0.001
local terms energy: -72.211583
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -225.699089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.699089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.699089 (E_RNA)
where:
Base-Base interactions energy: -153.028
where: short stacking energy: -69.830
Base-Backbone interact. energy: -0.071
local terms energy: -72.599556
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -201.334756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.334756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.334756 (E_RNA)
where:
Base-Base interactions energy: -128.819
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.063
local terms energy: -72.452588
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -199.320665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.320665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.320665 (E_RNA)
where:
Base-Base interactions energy: -121.638
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.102
local terms energy: -77.580310
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.216
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -90.548425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.548425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.548425 (E_RNA)
where:
Base-Base interactions energy: -34.665
where: short stacking energy: -27.363
Base-Backbone interact. energy: -0.465
local terms energy: -55.418113
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -89.629568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629568 (E_RNA)
where:
Base-Base interactions energy: -35.265
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.043
local terms energy: -54.322187
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -6.857
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: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -82.171118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.171118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.171118 (E_RNA)
where:
Base-Base interactions energy: -40.716
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.128
local terms energy: -41.326667
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -80.740354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.740354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.740354 (E_RNA)
where:
Base-Base interactions energy: -25.776
where: short stacking energy: -25.648
Base-Backbone interact. energy: -0.146
local terms energy: -54.819183
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -76.028993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.028993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.028993 (E_RNA)
where:
Base-Base interactions energy: -30.309
where: short stacking energy: -24.794
Base-Backbone interact. energy: -0.162
local terms energy: -45.557430
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -234.213585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.213585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.213585 (E_RNA)
where:
Base-Base interactions energy: -156.538
where: short stacking energy: -79.563
Base-Backbone interact. energy: -0.291
local terms energy: -77.385126
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -230.133957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.133957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.133957 (E_RNA)
where:
Base-Base interactions energy: -154.340
where: short stacking energy: -75.766
Base-Backbone interact. energy: -0.002
local terms energy: -75.791833
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -22.149
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: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -232.637184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.637184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.637184 (E_RNA)
where:
Base-Base interactions energy: -156.459
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.000
local terms energy: -76.177492
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -21.817
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: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -207.438137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.438137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.438137 (E_RNA)
where:
Base-Base interactions energy: -128.263
where: short stacking energy: -68.680
Base-Backbone interact. energy: -0.001
local terms energy: -79.174808
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -180.045065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.045065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.045065 (E_RNA)
where:
Base-Base interactions energy: -116.008
where: short stacking energy: -52.753
Base-Backbone interact. energy: -0.008
local terms energy: -64.028714
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -9.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -99.374897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.374897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.374897 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -35.357
Base-Backbone interact. energy: -0.008
local terms energy: -64.010307
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -8.640
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: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -96.625437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.625437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.625437 (E_RNA)
where:
Base-Base interactions energy: -53.475
where: short stacking energy: -28.303
Base-Backbone interact. energy: -0.123
local terms energy: -43.028175
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -93.200115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.200115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.200115 (E_RNA)
where:
Base-Base interactions energy: -38.795
where: short stacking energy: -38.795
Base-Backbone interact. energy: 0.020
local terms energy: -54.425394
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -7.483
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: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -87.568162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568162 (E_RNA)
where:
Base-Base interactions energy: -35.940
where: short stacking energy: -35.940
Base-Backbone interact. energy: -0.002
local terms energy: -51.626404
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -9.088
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: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -78.619259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619259 (E_RNA)
where:
Base-Base interactions energy: -22.418
where: short stacking energy: -22.418
Base-Backbone interact. energy: -0.035
local terms energy: -56.166213
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -236.027137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.027137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.027137 (E_RNA)
where:
Base-Base interactions energy: -158.946
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.502
local terms energy: -76.578892
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -23.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -228.840546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.840546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.840546 (E_RNA)
where:
Base-Base interactions energy: -148.361
where: short stacking energy: -72.885
Base-Backbone interact. energy: -0.001
local terms energy: -80.478914
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -223.491158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.491158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.491158 (E_RNA)
where:
Base-Base interactions energy: -142.760
where: short stacking energy: -71.056
Base-Backbone interact. energy: -0.007
local terms energy: -80.723700
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -211.233873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.233873 (E_RNA)
where:
Base-Base interactions energy: -137.220
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.098
local terms energy: -73.915463
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.915
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: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -172.430793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.430793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.430793 (E_RNA)
where:
Base-Base interactions energy: -110.035
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.017
local terms energy: -62.378233
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -11.146
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: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -93.303860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.303860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.303860 (E_RNA)
where:
Base-Base interactions energy: -39.484
where: short stacking energy: -33.110
Base-Backbone interact. energy: -0.091
local terms energy: -53.728956
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -95.979929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.979929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.979929 (E_RNA)
where:
Base-Base interactions energy: -42.765
where: short stacking energy: -25.408
Base-Backbone interact. energy: 0.698
local terms energy: -53.912521
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -83.645556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645556 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.121
local terms energy: -51.370889
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -2.390
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -75.524299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.524299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.524299 (E_RNA)
where:
Base-Base interactions energy: -24.712
where: short stacking energy: -20.245
Base-Backbone interact. energy: -0.038
local terms energy: -50.773967
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -71.353963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.353963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.353963 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -16.485
Base-Backbone interact. energy: -0.293
local terms energy: -39.809473
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -237.550733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.550733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.550733 (E_RNA)
where:
Base-Base interactions energy: -161.807
where: short stacking energy: -78.767
Base-Backbone interact. energy: -0.013
local terms energy: -75.730633
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -226.329107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.329107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.329107 (E_RNA)
where:
Base-Base interactions energy: -156.537
where: short stacking energy: -77.364
Base-Backbone interact. energy: -0.002
local terms energy: -69.790524
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -220.276285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.276285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.276285 (E_RNA)
where:
Base-Base interactions energy: -140.176
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.001
local terms energy: -80.099579
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -12.766
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: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -203.738245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.738245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.738245 (E_RNA)
where:
Base-Base interactions energy: -135.365
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.196
local terms energy: -68.177429
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -193.070213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.070213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.070213 (E_RNA)
where:
Base-Base interactions energy: -124.388
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.019
local terms energy: -68.662845
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -93.710334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.710334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.710334 (E_RNA)
where:
Base-Base interactions energy: -33.285
where: short stacking energy: -19.471
Base-Backbone interact. energy: -0.263
local terms energy: -60.162718
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -100.867940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.867940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.867940 (E_RNA)
where:
Base-Base interactions energy: -41.335
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.010
local terms energy: -59.523813
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -86.323807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.323807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.323807 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -28.933
Base-Backbone interact. energy: -0.401
local terms energy: -51.288235
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -78.614414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.614414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.614414 (E_RNA)
where:
Base-Base interactions energy: -34.298
where: short stacking energy: -34.106
Base-Backbone interact. energy: -0.049
local terms energy: -44.267399
where:
bonds (distance) C4'-P energy: -6.991
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -3.960
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -78.510779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.510779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.510779 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -25.849
Base-Backbone interact. energy: -0.661
local terms energy: -39.094199
where:
bonds (distance) C4'-P energy: -6.287
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -233.595800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.595800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.595800 (E_RNA)
where:
Base-Base interactions energy: -158.635
where: short stacking energy: -76.090
Base-Backbone interact. energy: -0.002
local terms energy: -74.959164
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -222.555463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.555463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.555463 (E_RNA)
where:
Base-Base interactions energy: -147.199
where: short stacking energy: -70.779
Base-Backbone interact. energy: -0.001
local terms energy: -75.355480
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -20.281
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: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -226.629253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.629253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.629253 (E_RNA)
where:
Base-Base interactions energy: -145.104
where: short stacking energy: -70.711
Base-Backbone interact. energy: -0.002
local terms energy: -81.523436
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -204.900184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.900184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.900184 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.003
local terms energy: -76.975411
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -195.605512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.605512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.605512 (E_RNA)
where:
Base-Base interactions energy: -130.131
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.005
local terms energy: -65.469226
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -100.368057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.368057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.368057 (E_RNA)
where:
Base-Base interactions energy: -37.280
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.792
local terms energy: -62.295921
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -8.306
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: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -92.923677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.923677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.923677 (E_RNA)
where:
Base-Base interactions energy: -40.791
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.110
local terms energy: -52.023614
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -6.296
flat angles P-C4'-P energy: -6.509
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: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -78.776265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.776265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.776265 (E_RNA)
where:
Base-Base interactions energy: -27.232
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.147
local terms energy: -51.397409
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -84.498575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.498575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.498575 (E_RNA)
where:
Base-Base interactions energy: -36.820
where: short stacking energy: -36.165
Base-Backbone interact. energy: -0.130
local terms energy: -47.548639
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -7.422
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -71.532799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.532799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.532799 (E_RNA)
where:
Base-Base interactions energy: -18.499
where: short stacking energy: -18.499
Base-Backbone interact. energy: -0.114
local terms energy: -52.918945
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -0.971
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: 319
Temperature: 0.900000
Total energy: -232.349991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.349991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.349991 (E_RNA)
where:
Base-Base interactions energy: -159.755
where: short stacking energy: -68.279
Base-Backbone interact. energy: -0.001
local terms energy: -72.593752
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -230.270846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.270846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.270846 (E_RNA)
where:
Base-Base interactions energy: -153.705
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.009
local terms energy: -76.556784
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -21.667
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: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -227.914144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.914144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.914144 (E_RNA)
where:
Base-Base interactions energy: -151.805
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.002
local terms energy: -76.106896
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -210.329145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.329145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.329145 (E_RNA)
where:
Base-Base interactions energy: -134.387
where: short stacking energy: -64.765
Base-Backbone interact. energy: -0.001
local terms energy: -75.941329
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -12.361
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: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -167.926654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.926654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.926654 (E_RNA)
where:
Base-Base interactions energy: -105.407
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.143
local terms energy: -62.376808
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -100.088077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.088077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.088077 (E_RNA)
where:
Base-Base interactions energy: -50.170
where: short stacking energy: -38.072
Base-Backbone interact. energy: -0.002
local terms energy: -49.916195
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -85.181972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.181972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.181972 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.409
local terms energy: -58.092873
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -6.614
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: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -84.395118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.395118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.395118 (E_RNA)
where:
Base-Base interactions energy: -41.418
where: short stacking energy: -28.348
Base-Backbone interact. energy: 0.348
local terms energy: -43.325495
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -91.213370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.213370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.213370 (E_RNA)
where:
Base-Base interactions energy: -34.285
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.085
local terms energy: -56.843356
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -72.508161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.508161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.508161 (E_RNA)
where:
Base-Base interactions energy: -22.970
where: short stacking energy: -21.227
Base-Backbone interact. energy: -0.208
local terms energy: -49.329772
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -232.538448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.538448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.538448 (E_RNA)
where:
Base-Base interactions energy: -149.442
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.002
local terms energy: -83.093553
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -231.707626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.707626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.707626 (E_RNA)
where:
Base-Base interactions energy: -151.436
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.001
local terms energy: -80.270854
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -22.971
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: 320
Temperature: 1.000000
Total energy: -216.396595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.396595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.396595 (E_RNA)
where:
Base-Base interactions energy: -142.300
where: short stacking energy: -73.619
Base-Backbone interact. energy: 1.279
local terms energy: -75.375559
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -10.729
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: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -213.292983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.292983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.292983 (E_RNA)
where:
Base-Base interactions energy: -138.195
where: short stacking energy: -62.528
Base-Backbone interact. energy: -0.213
local terms energy: -74.884325
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -210.305509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.305509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.305509 (E_RNA)
where:
Base-Base interactions energy: -140.288
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.295
local terms energy: -69.722527
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -98.549423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.549423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.549423 (E_RNA)
where:
Base-Base interactions energy: -41.050
where: short stacking energy: -37.977
Base-Backbone interact. energy: -0.661
local terms energy: -56.838982
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -7.803
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: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -82.082309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.082309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.082309 (E_RNA)
where:
Base-Base interactions energy: -36.551
where: short stacking energy: -26.620
Base-Backbone interact. energy: -0.323
local terms energy: -45.207829
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: 0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -90.067774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.067774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.067774 (E_RNA)
where:
Base-Base interactions energy: -37.889
where: short stacking energy: -37.889
Base-Backbone interact. energy: -0.139
local terms energy: -52.039962
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -97.565242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.565242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.565242 (E_RNA)
where:
Base-Base interactions energy: -52.523
where: short stacking energy: -24.826
Base-Backbone interact. energy: 0.844
local terms energy: -45.886244
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -82.755924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.755924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.755924 (E_RNA)
where:
Base-Base interactions energy: -34.004
where: short stacking energy: -34.225
Base-Backbone interact. energy: -0.197
local terms energy: -48.555521
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -3.356
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -234.204489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.204489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.204489 (E_RNA)
where:
Base-Base interactions energy: -158.168
where: short stacking energy: -76.605
Base-Backbone interact. energy: -0.001
local terms energy: -76.035401
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -20.875
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: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -230.851905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.851905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.851905 (E_RNA)
where:
Base-Base interactions energy: -153.179
where: short stacking energy: -76.175
Base-Backbone interact. energy: -0.212
local terms energy: -77.461399
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -215.255792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.255792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.255792 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.374
local terms energy: -75.639419
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -185.609592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.609592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.609592 (E_RNA)
where:
Base-Base interactions energy: -114.033
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.054
local terms energy: -71.522778
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -15.860
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: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -223.701132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.701132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.701132 (E_RNA)
where:
Base-Base interactions energy: -148.447
where: short stacking energy: -68.710
Base-Backbone interact. energy: -0.345
local terms energy: -74.909292
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -17.605
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: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -112.240273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.240273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.240273 (E_RNA)
where:
Base-Base interactions energy: -62.641
where: short stacking energy: -20.469
Base-Backbone interact. energy: -0.149
local terms energy: -49.449353
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -89.833310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.833310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.833310 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -32.067
Base-Backbone interact. energy: -1.244
local terms energy: -49.441526
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -93.949553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.949553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.949553 (E_RNA)
where:
Base-Base interactions energy: -48.796
where: short stacking energy: -25.639
Base-Backbone interact. energy: -0.435
local terms energy: -44.718374
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -78.673441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.673441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.673441 (E_RNA)
where:
Base-Base interactions energy: -29.009
where: short stacking energy: -25.566
Base-Backbone interact. energy: -0.732
local terms energy: -48.932313
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -80.819621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.819621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.819621 (E_RNA)
where:
Base-Base interactions energy: -27.266
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.170
local terms energy: -53.382949
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: 0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -236.653340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.653340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.653340 (E_RNA)
where:
Base-Base interactions energy: -159.429
where: short stacking energy: -74.322
Base-Backbone interact. energy: -0.841
local terms energy: -76.383007
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -232.181151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.181151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.181151 (E_RNA)
where:
Base-Base interactions energy: -150.197
where: short stacking energy: -71.463
Base-Backbone interact. energy: -0.241
local terms energy: -81.743436
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -216.473930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.473930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.473930 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.003
local terms energy: -70.166132
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -7.878
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -173.880327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.880327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.880327 (E_RNA)
where:
Base-Base interactions energy: -108.269
where: short stacking energy: -58.757
Base-Backbone interact. energy: 1.000
local terms energy: -66.611127
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -219.029265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.029265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.029265 (E_RNA)
where:
Base-Base interactions energy: -149.431
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.027
local terms energy: -69.571323
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -128.044757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.044757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.044757 (E_RNA)
where:
Base-Base interactions energy: -78.605
where: short stacking energy: -35.176
Base-Backbone interact. energy: -0.221
local terms energy: -49.218770
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -96.207354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.207354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.207354 (E_RNA)
where:
Base-Base interactions energy: -39.305
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.073
local terms energy: -56.829696
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -85.783946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.783946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.783946 (E_RNA)
where:
Base-Base interactions energy: -29.892
where: short stacking energy: -29.892
Base-Backbone interact. energy: 0.037
local terms energy: -55.929011
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -75.197854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.197854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.197854 (E_RNA)
where:
Base-Base interactions energy: -25.338
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.056
local terms energy: -49.803706
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -2.006
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -70.336703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.336703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.336703 (E_RNA)
where:
Base-Base interactions energy: -23.385
where: short stacking energy: -22.865
Base-Backbone interact. energy: 0.040
local terms energy: -46.991419
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -234.483434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.483434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.483434 (E_RNA)
where:
Base-Base interactions energy: -160.399
where: short stacking energy: -77.185
Base-Backbone interact. energy: -0.017
local terms energy: -74.067949
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.569
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: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -230.004269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.004269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.004269 (E_RNA)
where:
Base-Base interactions energy: -151.420
where: short stacking energy: -70.976
Base-Backbone interact. energy: -0.001
local terms energy: -78.583628
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -204.988142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.988142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.988142 (E_RNA)
where:
Base-Base interactions energy: -132.964
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.012
local terms energy: -72.011906
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -9.960
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: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -222.959629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.959629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.959629 (E_RNA)
where:
Base-Base interactions energy: -144.857
where: short stacking energy: -63.982
Base-Backbone interact. energy: -0.000
local terms energy: -78.103010
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -13.307
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: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -173.338150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.338150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.338150 (E_RNA)
where:
Base-Base interactions energy: -104.097
where: short stacking energy: -46.996
Base-Backbone interact. energy: -0.111
local terms energy: -69.129743
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -139.404478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.404478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.404478 (E_RNA)
where:
Base-Base interactions energy: -80.331
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.016
local terms energy: -59.056694
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -88.037653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037653 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -34.676
Base-Backbone interact. energy: -0.204
local terms energy: -50.259354
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -76.667365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.667365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.667365 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -21.912
Base-Backbone interact. energy: -0.034
local terms energy: -47.257916
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: 3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -78.806421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.806421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.806421 (E_RNA)
where:
Base-Base interactions energy: -29.312
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.407
local terms energy: -49.087945
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -78.136327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.136327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.136327 (E_RNA)
where:
Base-Base interactions energy: -28.067
where: short stacking energy: -28.067
Base-Backbone interact. energy: -0.089
local terms energy: -49.980518
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -1.756
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -230.686258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.686258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.686258 (E_RNA)
where:
Base-Base interactions energy: -154.379
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.005
local terms energy: -76.302317
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -230.668324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.668324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.668324 (E_RNA)
where:
Base-Base interactions energy: -152.022
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.041
local terms energy: -78.604578
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -215.475349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.475349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.475349 (E_RNA)
where:
Base-Base interactions energy: -140.505
where: short stacking energy: -68.429
Base-Backbone interact. energy: -0.004
local terms energy: -74.965690
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -204.892507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.892507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.892507 (E_RNA)
where:
Base-Base interactions energy: -131.229
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.216
local terms energy: -73.447673
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -20.221
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: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -168.355433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.355433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.355433 (E_RNA)
where:
Base-Base interactions energy: -105.000
where: short stacking energy: -44.125
Base-Backbone interact. energy: -0.639
local terms energy: -62.715912
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -163.592433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.592433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.592433 (E_RNA)
where:
Base-Base interactions energy: -96.911
where: short stacking energy: -45.761
Base-Backbone interact. energy: -0.098
local terms energy: -66.583296
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.675
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: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -86.429426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.429426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.429426 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -36.205
Base-Backbone interact. energy: -1.251
local terms energy: -46.746184
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -85.995082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.995082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.995082 (E_RNA)
where:
Base-Base interactions energy: -29.044
where: short stacking energy: -29.009
Base-Backbone interact. energy: 1.044
local terms energy: -57.995496
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -7.960
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: 324
Temperature: 1.300000
Total energy: -81.143999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.143999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.143999 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -21.027
Base-Backbone interact. energy: -0.458
local terms energy: -48.242195
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -77.613001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.613001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.613001 (E_RNA)
where:
Base-Base interactions energy: -40.569
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.222
local terms energy: -36.822182
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -234.272260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.272260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.272260 (E_RNA)
where:
Base-Base interactions energy: -155.387
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.009
local terms energy: -78.876221
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -18.618
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: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -228.506444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.506444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.506444 (E_RNA)
where:
Base-Base interactions energy: -151.237
where: short stacking energy: -74.268
Base-Backbone interact. energy: -0.000
local terms energy: -77.269277
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -231.135271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.135271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.135271 (E_RNA)
where:
Base-Base interactions energy: -159.759
where: short stacking energy: -76.593
Base-Backbone interact. energy: -0.115
local terms energy: -71.261426
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -21.826
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: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -193.703383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.703383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.703383 (E_RNA)
where:
Base-Base interactions energy: -126.127
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.290
local terms energy: -67.286996
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -11.636
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: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -202.513320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.513320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513320 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.061
local terms energy: -69.300309
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -121.236952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.236952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.236952 (E_RNA)
where:
Base-Base interactions energy: -55.972
where: short stacking energy: -29.502
Base-Backbone interact. energy: -0.112
local terms energy: -65.152231
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -87.575050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575050 (E_RNA)
where:
Base-Base interactions energy: -31.304
where: short stacking energy: -31.304
Base-Backbone interact. energy: -0.222
local terms energy: -56.049323
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -88.002668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.002668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.002668 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.298
local terms energy: -50.079668
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -88.362660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.362660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.362660 (E_RNA)
where:
Base-Base interactions energy: -28.810
where: short stacking energy: -24.050
Base-Backbone interact. energy: -0.094
local terms energy: -59.458274
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.176
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: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -82.327902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.327902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.327902 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -28.518
Base-Backbone interact. energy: -0.222
local terms energy: -43.550213
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -239.498747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.498747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.498747 (E_RNA)
where:
Base-Base interactions energy: -162.845
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.577
local terms energy: -76.076969
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -216.460704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.460704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.460704 (E_RNA)
where:
Base-Base interactions energy: -134.003
where: short stacking energy: -69.505
Base-Backbone interact. energy: -0.000
local terms energy: -82.457903
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -10.211
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: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -229.257049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.257049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.257049 (E_RNA)
where:
Base-Base interactions energy: -152.932
where: short stacking energy: -73.788
Base-Backbone interact. energy: -0.003
local terms energy: -76.322639
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -206.660195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.660195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.660195 (E_RNA)
where:
Base-Base interactions energy: -132.092
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.003
local terms energy: -74.565306
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -17.902
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: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -199.645776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.645776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.645776 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.003
local terms energy: -68.009039
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -117.733280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.733280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.733280 (E_RNA)
where:
Base-Base interactions energy: -63.749
where: short stacking energy: -38.517
Base-Backbone interact. energy: -0.088
local terms energy: -53.896488
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -75.558469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558469 (E_RNA)
where:
Base-Base interactions energy: -25.653
where: short stacking energy: -20.213
Base-Backbone interact. energy: 1.303
local terms energy: -51.208277
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -96.809837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.809837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.809837 (E_RNA)
where:
Base-Base interactions energy: -47.558
where: short stacking energy: -34.601
Base-Backbone interact. energy: 2.173
local terms energy: -51.424703
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -4.355
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -76.084979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.084979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.084979 (E_RNA)
where:
Base-Base interactions energy: -31.383
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.026
local terms energy: -44.675750
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -79.639445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.639445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.639445 (E_RNA)
where:
Base-Base interactions energy: -26.237
where: short stacking energy: -22.316
Base-Backbone interact. energy: -1.065
local terms energy: -52.337279
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -234.173091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.173091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.173091 (E_RNA)
where:
Base-Base interactions energy: -157.060
where: short stacking energy: -74.213
Base-Backbone interact. energy: -0.008
local terms energy: -77.104550
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -230.096704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.096704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.096704 (E_RNA)
where:
Base-Base interactions energy: -146.282
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.001
local terms energy: -83.813392
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -230.095836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.095836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.095836 (E_RNA)
where:
Base-Base interactions energy: -149.913
where: short stacking energy: -73.264
Base-Backbone interact. energy: -0.002
local terms energy: -80.180765
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -201.352347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.352347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.352347 (E_RNA)
where:
Base-Base interactions energy: -130.406
where: short stacking energy: -61.697
Base-Backbone interact. energy: -0.244
local terms energy: -70.702030
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -6.290
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: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -200.134681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.134681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.134681 (E_RNA)
where:
Base-Base interactions energy: -126.792
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.635
local terms energy: -72.707867
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -96.709952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.709952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.709952 (E_RNA)
where:
Base-Base interactions energy: -51.027
where: short stacking energy: -28.082
Base-Backbone interact. energy: -0.198
local terms energy: -45.484565
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 1.100
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -85.156896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.156896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.156896 (E_RNA)
where:
Base-Base interactions energy: -32.263
where: short stacking energy: -27.489
Base-Backbone interact. energy: -0.239
local terms energy: -52.655202
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -94.484043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.484043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.484043 (E_RNA)
where:
Base-Base interactions energy: -40.667
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.039
local terms energy: -53.777871
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -85.386542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.386542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.386542 (E_RNA)
where:
Base-Base interactions energy: -30.242
where: short stacking energy: -30.242
Base-Backbone interact. energy: -0.041
local terms energy: -55.103189
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -78.415826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.415826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.415826 (E_RNA)
where:
Base-Base interactions energy: -24.405
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.235
local terms energy: -53.775733
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -232.176749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.176749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.176749 (E_RNA)
where:
Base-Base interactions energy: -153.494
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.301
local terms energy: -78.381950
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -232.716063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.716063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.716063 (E_RNA)
where:
Base-Base interactions energy: -155.273
where: short stacking energy: -72.864
Base-Backbone interact. energy: -0.001
local terms energy: -77.441881
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -206.235557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.235557 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.001
local terms energy: -72.071387
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -224.004865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.004865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.004865 (E_RNA)
where:
Base-Base interactions energy: -147.302
where: short stacking energy: -72.605
Base-Backbone interact. energy: -0.002
local terms energy: -76.700253
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -20.129
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: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -189.036802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.036802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.036802 (E_RNA)
where:
Base-Base interactions energy: -119.860
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.199
local terms energy: -68.978257
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -10.194
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: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -122.231667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.231667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.231667 (E_RNA)
where:
Base-Base interactions energy: -53.777
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.027
local terms energy: -68.427744
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -96.623886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.623886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.623886 (E_RNA)
where:
Base-Base interactions energy: -41.687
where: short stacking energy: -37.083
Base-Backbone interact. energy: -0.014
local terms energy: -54.923041
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -10.343
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: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -79.604805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.604805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.604805 (E_RNA)
where:
Base-Base interactions energy: -29.283
where: short stacking energy: -24.620
Base-Backbone interact. energy: 0.751
local terms energy: -51.073236
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -84.253789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.253789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.253789 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -29.124
Base-Backbone interact. energy: -0.106
local terms energy: -53.537543
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -81.839649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.839649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.839649 (E_RNA)
where:
Base-Base interactions energy: -33.614
where: short stacking energy: -22.625
Base-Backbone interact. energy: -0.186
local terms energy: -48.039699
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -2.618
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: 329
Temperature: 0.900000
Total energy: -232.847397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.847397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.847397 (E_RNA)
where:
Base-Base interactions energy: -155.582
where: short stacking energy: -73.255
Base-Backbone interact. energy: -0.003
local terms energy: -77.263089
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -23.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -204.370968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.370968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.370968 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.338
local terms energy: -71.615709
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -226.143223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.143223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.143223 (E_RNA)
where:
Base-Base interactions energy: -153.904
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.425
local terms energy: -71.814957
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -227.188996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.188996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.188996 (E_RNA)
where:
Base-Base interactions energy: -157.798
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.317
local terms energy: -69.073847
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -198.551907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.551907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.551907 (E_RNA)
where:
Base-Base interactions energy: -133.552
where: short stacking energy: -66.361
Base-Backbone interact. energy: -0.069
local terms energy: -64.930460
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -1.659
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: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -100.227161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.227161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.227161 (E_RNA)
where:
Base-Base interactions energy: -45.099
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.175
local terms energy: -54.953755
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -87.840143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.840143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.840143 (E_RNA)
where:
Base-Base interactions energy: -31.670
where: short stacking energy: -31.670
Base-Backbone interact. energy: -0.054
local terms energy: -56.116259
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -89.992369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.992369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.992369 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -18.289
Base-Backbone interact. energy: -0.969
local terms energy: -54.783486
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -100.436074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.436074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.436074 (E_RNA)
where:
Base-Base interactions energy: -50.593
where: short stacking energy: -24.934
Base-Backbone interact. energy: 0.118
local terms energy: -49.961182
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -79.421530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.421530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.421530 (E_RNA)
where:
Base-Base interactions energy: -25.624
where: short stacking energy: -21.698
Base-Backbone interact. energy: -0.335
local terms energy: -53.462992
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -231.209657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.209657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.209657 (E_RNA)
where:
Base-Base interactions energy: -153.076
where: short stacking energy: -71.346
Base-Backbone interact. energy: -0.055
local terms energy: -78.078201
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -17.450
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: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -204.502130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.502130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.502130 (E_RNA)
where:
Base-Base interactions energy: -129.034
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.078
local terms energy: -75.389885
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -210.309087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.309087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.309087 (E_RNA)
where:
Base-Base interactions energy: -133.536
where: short stacking energy: -68.738
Base-Backbone interact. energy: -0.124
local terms energy: -76.649074
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -220.287785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.287785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.287785 (E_RNA)
where:
Base-Base interactions energy: -140.548
where: short stacking energy: -73.898
Base-Backbone interact. energy: -0.001
local terms energy: -79.737939
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -197.917836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.917836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.917836 (E_RNA)
where:
Base-Base interactions energy: -120.012
where: short stacking energy: -58.405
Base-Backbone interact. energy: -0.001
local terms energy: -77.904901
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -17.898
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: 330
Temperature: 1.150000
Total energy: -97.091127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.091127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.091127 (E_RNA)
where:
Base-Base interactions energy: -40.559
where: short stacking energy: -35.130
Base-Backbone interact. energy: -0.007
local terms energy: -56.525403
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -13.176
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: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -104.037967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.037967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.037967 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -42.831
Base-Backbone interact. energy: -0.094
local terms energy: -61.112675
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -80.630658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.630658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.630658 (E_RNA)
where:
Base-Base interactions energy: -26.422
where: short stacking energy: -25.177
Base-Backbone interact. energy: -0.068
local terms energy: -54.141013
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -75.235294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.235294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.235294 (E_RNA)
where:
Base-Base interactions energy: -26.703
where: short stacking energy: -24.671
Base-Backbone interact. energy: 0.712
local terms energy: -49.244070
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.789723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.789723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.789723 (E_RNA)
where:
Base-Base interactions energy: -26.024
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.070
local terms energy: -55.695874
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -224.093588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.093588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.093588 (E_RNA)
where:
Base-Base interactions energy: -145.843
where: short stacking energy: -77.980
Base-Backbone interact. energy: -0.000
local terms energy: -78.250399
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -210.714187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.714187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.714187 (E_RNA)
where:
Base-Base interactions energy: -133.188
where: short stacking energy: -65.743
Base-Backbone interact. energy: -0.001
local terms energy: -77.525407
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -202.801735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.801735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.801735 (E_RNA)
where:
Base-Base interactions energy: -129.067
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.044
local terms energy: -73.691118
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -181.660936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.660936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.660936 (E_RNA)
where:
Base-Base interactions energy: -109.875
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.636
local terms energy: -71.150549
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -203.000597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.000597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.000597 (E_RNA)
where:
Base-Base interactions energy: -130.678
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.176
local terms energy: -72.146620
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -16.223
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: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -86.943120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.943120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.943120 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -18.889
Base-Backbone interact. energy: 0.528
local terms energy: -51.538030
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -96.377758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.377758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.377758 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -24.793
Base-Backbone interact. energy: -0.223
local terms energy: -57.546358
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -0.800
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: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -86.811711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.811711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.811711 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -38.511
Base-Backbone interact. energy: -1.263
local terms energy: -46.583876
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -78.192612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.192612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.192612 (E_RNA)
where:
Base-Base interactions energy: -26.060
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.170
local terms energy: -51.962959
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -73.323814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.323814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.323814 (E_RNA)
where:
Base-Base interactions energy: -19.318
where: short stacking energy: -19.318
Base-Backbone interact. energy: -0.119
local terms energy: -53.886944
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -218.647202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.647202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.647202 (E_RNA)
where:
Base-Base interactions energy: -142.634
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.002
local terms energy: -76.011206
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -222.916119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916119 (E_RNA)
where:
Base-Base interactions energy: -144.091
where: short stacking energy: -70.218
Base-Backbone interact. energy: 0.588
local terms energy: -79.413870
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -199.099041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.099041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.099041 (E_RNA)
where:
Base-Base interactions energy: -130.097
where: short stacking energy: -62.902
Base-Backbone interact. energy: 0.357
local terms energy: -69.359099
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -15.332
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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -175.178502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.178502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.178502 (E_RNA)
where:
Base-Base interactions energy: -105.217
where: short stacking energy: -49.861
Base-Backbone interact. energy: -0.814
local terms energy: -69.147361
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -202.079382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.079382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.079382 (E_RNA)
where:
Base-Base interactions energy: -127.073
where: short stacking energy: -66.411
Base-Backbone interact. energy: -0.001
local terms energy: -75.005615
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -7.671
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: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -91.070829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.070829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.070829 (E_RNA)
where:
Base-Base interactions energy: -39.127
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.300
local terms energy: -51.644016
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -86.000454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.000454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.000454 (E_RNA)
where:
Base-Base interactions energy: -34.384
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.221
local terms energy: -51.395974
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -123.627675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.627675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.627675 (E_RNA)
where:
Base-Base interactions energy: -58.373
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.100
local terms energy: -65.154504
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -77.850677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.850677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.850677 (E_RNA)
where:
Base-Base interactions energy: -20.081
where: short stacking energy: -20.081
Base-Backbone interact. energy: -0.063
local terms energy: -57.707222
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -73.540904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.540904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.540904 (E_RNA)
where:
Base-Base interactions energy: -30.337
where: short stacking energy: -30.337
Base-Backbone interact. energy: -0.218
local terms energy: -42.986027
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -4.612
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: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -217.681179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.681179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.681179 (E_RNA)
where:
Base-Base interactions energy: -137.507
where: short stacking energy: -69.493
Base-Backbone interact. energy: -0.293
local terms energy: -79.880654
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -20.048
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: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -208.549856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.549856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.549856 (E_RNA)
where:
Base-Base interactions energy: -128.034
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.007
local terms energy: -80.508662
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -229.572450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.572450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.572450 (E_RNA)
where:
Base-Base interactions energy: -154.415
where: short stacking energy: -75.314
Base-Backbone interact. energy: -0.001
local terms energy: -75.156952
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -19.844
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: 333
Temperature: 1.050000
Total energy: -228.001139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.001139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.001139 (E_RNA)
where:
Base-Base interactions energy: -151.817
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.004
local terms energy: -76.180986
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -19.143
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: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -168.108083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.108083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.108083 (E_RNA)
where:
Base-Base interactions energy: -103.691
where: short stacking energy: -51.386
Base-Backbone interact. energy: 0.238
local terms energy: -64.654351
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -100.458648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.458648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.458648 (E_RNA)
where:
Base-Base interactions energy: -51.534
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.359
local terms energy: -48.565641
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -94.640082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.640082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.640082 (E_RNA)
where:
Base-Base interactions energy: -37.271
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.249
local terms energy: -57.119964
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -13.004
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: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -94.092471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.092471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.092471 (E_RNA)
where:
Base-Base interactions energy: -42.333
where: short stacking energy: -41.330
Base-Backbone interact. energy: -0.262
local terms energy: -51.497005
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -5.942
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: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -85.242513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.242513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.242513 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -33.672
Base-Backbone interact. energy: -0.030
local terms energy: -51.438128
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -75.979195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.979195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.979195 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -29.690
Base-Backbone interact. energy: -0.206
local terms energy: -45.100408
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -6.927
flat angles P-C4'-P energy: -6.867
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: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -224.916401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.916401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.916401 (E_RNA)
where:
Base-Base interactions energy: -140.240
where: short stacking energy: -71.709
Base-Backbone interact. energy: -2.357
local terms energy: -82.319738
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -213.970071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.970071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.970071 (E_RNA)
where:
Base-Base interactions energy: -139.268
where: short stacking energy: -63.763
Base-Backbone interact. energy: -0.735
local terms energy: -73.967335
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -226.513428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.513428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.513428 (E_RNA)
where:
Base-Base interactions energy: -152.780
where: short stacking energy: -70.659
Base-Backbone interact. energy: -0.030
local terms energy: -73.703853
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -202.975975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.975975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.975975 (E_RNA)
where:
Base-Base interactions energy: -131.391
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.006
local terms energy: -71.579265
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -20.832
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: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -182.342795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.342795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.342795 (E_RNA)
where:
Base-Base interactions energy: -119.641
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.039
local terms energy: -62.663218
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -98.917627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.917627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.917627 (E_RNA)
where:
Base-Base interactions energy: -40.208
where: short stacking energy: -38.758
Base-Backbone interact. energy: -0.410
local terms energy: -58.299293
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.464
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: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -82.648986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.648986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.648986 (E_RNA)
where:
Base-Base interactions energy: -28.457
where: short stacking energy: -26.273
Base-Backbone interact. energy: -0.010
local terms energy: -54.181589
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -91.173751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.173751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.173751 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -22.625
Base-Backbone interact. energy: -0.586
local terms energy: -42.920382
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -6.947
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -81.727303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727303 (E_RNA)
where:
Base-Base interactions energy: -32.967
where: short stacking energy: -18.040
Base-Backbone interact. energy: -0.227
local terms energy: -48.533764
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -83.275532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.275532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.275532 (E_RNA)
where:
Base-Base interactions energy: -30.799
where: short stacking energy: -21.185
Base-Backbone interact. energy: -0.229
local terms energy: -52.247020
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -218.803721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.803721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.803721 (E_RNA)
where:
Base-Base interactions energy: -141.439
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.079
local terms energy: -77.286012
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -230.486165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.486165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.486165 (E_RNA)
where:
Base-Base interactions energy: -157.995
where: short stacking energy: -69.761
Base-Backbone interact. energy: -0.447
local terms energy: -72.044214
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.166
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: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -209.124278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.124278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.124278 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.509
local terms energy: -78.258969
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -11.709
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: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -205.832409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.832409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.832409 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -65.291
Base-Backbone interact. energy: 0.562
local terms energy: -72.221042
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -184.670118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.670118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.670118 (E_RNA)
where:
Base-Base interactions energy: -126.816
where: short stacking energy: -42.709
Base-Backbone interact. energy: -0.038
local terms energy: -57.816101
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -96.187673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.187673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.187673 (E_RNA)
where:
Base-Base interactions energy: -34.896
where: short stacking energy: -34.896
Base-Backbone interact. energy: -0.046
local terms energy: -61.245298
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -8.025
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: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -90.978245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.978245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.978245 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -20.509
Base-Backbone interact. energy: -0.488
local terms energy: -52.721347
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -76.691297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.691297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.691297 (E_RNA)
where:
Base-Base interactions energy: -28.399
where: short stacking energy: -28.399
Base-Backbone interact. energy: -0.311
local terms energy: -47.981432
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -1.082
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: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -92.422666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.422666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.422666 (E_RNA)
where:
Base-Base interactions energy: -43.388
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.762
local terms energy: -48.272816
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: 0.377
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: 335
Temperature: 1.350000
Total energy: -69.921053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.921053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.921053 (E_RNA)
where:
Base-Base interactions energy: -20.094
where: short stacking energy: -20.094
Base-Backbone interact. energy: -0.172
local terms energy: -49.655086
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -1.795
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: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -232.443827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.443827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.443827 (E_RNA)
where:
Base-Base interactions energy: -154.347
where: short stacking energy: -70.348
Base-Backbone interact. energy: 0.635
local terms energy: -78.731676
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -221.872635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872635 (E_RNA)
where:
Base-Base interactions energy: -149.236
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.002
local terms energy: -72.634346
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -211.269154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.269154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.269154 (E_RNA)
where:
Base-Base interactions energy: -134.972
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.406
local terms energy: -75.891071
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -16.514
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -204.329473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.329473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.329473 (E_RNA)
where:
Base-Base interactions energy: -130.514
where: short stacking energy: -65.827
Base-Backbone interact. energy: -0.002
local terms energy: -73.813219
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -186.365523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.365523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.365523 (E_RNA)
where:
Base-Base interactions energy: -124.288
where: short stacking energy: -64.874
Base-Backbone interact. energy: -0.026
local terms energy: -62.051859
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -104.412751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.412751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.412751 (E_RNA)
where:
Base-Base interactions energy: -44.144
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.055
local terms energy: -60.213510
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -88.565119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.565119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.565119 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -35.285
Base-Backbone interact. energy: 0.397
local terms energy: -52.461202
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -7.252
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: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -92.453324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.453324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.453324 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -23.450
Base-Backbone interact. energy: -0.459
local terms energy: -44.403537
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: 1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -85.528923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528923 (E_RNA)
where:
Base-Base interactions energy: -40.859
where: short stacking energy: -19.149
Base-Backbone interact. energy: -0.711
local terms energy: -43.959450
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -80.287598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.287598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.287598 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.309
local terms energy: -42.796324
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -7.165
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -238.051796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.051796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.051796 (E_RNA)
where:
Base-Base interactions energy: -166.794
where: short stacking energy: -72.792
Base-Backbone interact. energy: -0.011
local terms energy: -71.246437
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -229.022597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.022597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.022597 (E_RNA)
where:
Base-Base interactions energy: -145.410
where: short stacking energy: -72.747
Base-Backbone interact. energy: -0.001
local terms energy: -83.612300
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -207.972368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.972368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.972368 (E_RNA)
where:
Base-Base interactions energy: -138.443
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.102
local terms energy: -69.427789
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.412
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: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -195.640455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.640455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.640455 (E_RNA)
where:
Base-Base interactions energy: -124.919
where: short stacking energy: -60.885
Base-Backbone interact. energy: -1.793
local terms energy: -68.928204
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -197.164861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.164861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.164861 (E_RNA)
where:
Base-Base interactions energy: -120.538
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.042
local terms energy: -76.584965
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -7.994
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -89.823655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.823655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.823655 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -33.064
Base-Backbone interact. energy: -0.419
local terms energy: -55.125963
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -81.820422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.820422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.820422 (E_RNA)
where:
Base-Base interactions energy: -24.182
where: short stacking energy: -24.182
Base-Backbone interact. energy: -0.014
local terms energy: -57.623857
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -82.306207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.306207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.306207 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -23.209
Base-Backbone interact. energy: -1.314
local terms energy: -49.836359
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -74.127387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127387 (E_RNA)
where:
Base-Base interactions energy: -24.030
where: short stacking energy: -22.333
Base-Backbone interact. energy: -0.132
local terms energy: -49.964823
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -82.171223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.171223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.171223 (E_RNA)
where:
Base-Base interactions energy: -31.188
where: short stacking energy: -25.988
Base-Backbone interact. energy: -0.334
local terms energy: -50.649621
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -233.179118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.179118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.179118 (E_RNA)
where:
Base-Base interactions energy: -155.826
where: short stacking energy: -70.724
Base-Backbone interact. energy: -0.083
local terms energy: -77.270242
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -228.732085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.732085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732085 (E_RNA)
where:
Base-Base interactions energy: -155.757
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.816
local terms energy: -72.159886
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.647
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: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -209.018310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.018310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.018310 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.091
local terms energy: -69.710781
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -211.643290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.643290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.643290 (E_RNA)
where:
Base-Base interactions energy: -141.372
where: short stacking energy: -63.716
Base-Backbone interact. energy: -0.224
local terms energy: -70.047347
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -16.573
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -202.126779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.126779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.126779 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.140
local terms energy: -71.754604
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -9.376
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: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -103.659889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.659889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.659889 (E_RNA)
where:
Base-Base interactions energy: -44.724
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.028
local terms energy: -58.907667
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -94.604216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.604216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.604216 (E_RNA)
where:
Base-Base interactions energy: -48.078
where: short stacking energy: -38.834
Base-Backbone interact. energy: 0.026
local terms energy: -46.552110
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -81.908104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908104 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -21.099
Base-Backbone interact. energy: 2.605
local terms energy: -55.705269
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -77.507221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.507221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.507221 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -23.893
Base-Backbone interact. energy: -0.232
local terms energy: -48.025065
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -11.072
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: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -73.569544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.569544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.569544 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -28.716
Base-Backbone interact. energy: -0.006
local terms energy: -46.368406
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -237.089912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.089912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.089912 (E_RNA)
where:
Base-Base interactions energy: -161.261
where: short stacking energy: -76.266
Base-Backbone interact. energy: 0.013
local terms energy: -75.841564
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -226.687881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.687881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.687881 (E_RNA)
where:
Base-Base interactions energy: -149.890
where: short stacking energy: -68.560
Base-Backbone interact. energy: -0.091
local terms energy: -76.706495
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -223.265993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.265993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.265993 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -72.133
Base-Backbone interact. energy: -0.620
local terms energy: -73.488817
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.827
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: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -195.970333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.970333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.970333 (E_RNA)
where:
Base-Base interactions energy: -125.750
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.003
local terms energy: -70.218093
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -12.596
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -193.912970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912970 (E_RNA)
where:
Base-Base interactions energy: -127.241
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.022
local terms energy: -66.649603
where:
bonds (distance) C4'-P energy: -6.617
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -97.922072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.922072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.922072 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -33.700
Base-Backbone interact. energy: -0.003
local terms energy: -64.219792
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -103.161772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.161772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.161772 (E_RNA)
where:
Base-Base interactions energy: -45.044
where: short stacking energy: -45.044
Base-Backbone interact. energy: -0.049
local terms energy: -58.069192
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -12.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -92.078239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.078239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.078239 (E_RNA)
where:
Base-Base interactions energy: -39.746
where: short stacking energy: -37.111
Base-Backbone interact. energy: -0.044
local terms energy: -52.288360
where:
bonds (distance) C4'-P energy: -5.693
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -10.521
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: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -81.242326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242326 (E_RNA)
where:
Base-Base interactions energy: -30.461
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.116
local terms energy: -50.664712
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -73.849474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.849474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.849474 (E_RNA)
where:
Base-Base interactions energy: -25.315
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.070
local terms energy: -48.464912
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -231.523020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.523020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.523020 (E_RNA)
where:
Base-Base interactions energy: -157.685
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.002
local terms energy: -73.836265
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -236.056476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.056476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.056476 (E_RNA)
where:
Base-Base interactions energy: -162.547
where: short stacking energy: -76.292
Base-Backbone interact. energy: -0.388
local terms energy: -73.121299
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -23.355
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -210.326213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.326213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.326213 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.016
local terms energy: -72.558931
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -20.204
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: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -205.911039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.911039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.911039 (E_RNA)
where:
Base-Base interactions energy: -126.713
where: short stacking energy: -61.883
Base-Backbone interact. energy: 1.235
local terms energy: -80.433306
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -204.397148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.397148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.397148 (E_RNA)
where:
Base-Base interactions energy: -129.273
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.008
local terms energy: -75.116562
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -107.809621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.809621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.809621 (E_RNA)
where:
Base-Base interactions energy: -52.268
where: short stacking energy: -32.496
Base-Backbone interact. energy: 0.220
local terms energy: -55.761718
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -93.281262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.281262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.281262 (E_RNA)
where:
Base-Base interactions energy: -30.447
where: short stacking energy: -30.447
Base-Backbone interact. energy: -0.119
local terms energy: -62.715491
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -81.619162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.619162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.619162 (E_RNA)
where:
Base-Base interactions energy: -29.045
where: short stacking energy: -28.871
Base-Backbone interact. energy: -0.045
local terms energy: -52.529415
where:
bonds (distance) C4'-P energy: -6.652
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -81.732121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.732121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.732121 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -27.028
Base-Backbone interact. energy: 1.497
local terms energy: -56.200377
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -86.987168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.987168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.987168 (E_RNA)
where:
Base-Base interactions energy: -38.056
where: short stacking energy: -17.111
Base-Backbone interact. energy: -0.213
local terms energy: -48.718806
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -229.243035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.243035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.243035 (E_RNA)
where:
Base-Base interactions energy: -153.550
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.046
local terms energy: -75.647040
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -11.671
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: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -230.259873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.259873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.259873 (E_RNA)
where:
Base-Base interactions energy: -146.456
where: short stacking energy: -73.777
Base-Backbone interact. energy: -0.144
local terms energy: -83.659721
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -24.779
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: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -213.366975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.366975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.366975 (E_RNA)
where:
Base-Base interactions energy: -138.629
where: short stacking energy: -69.497
Base-Backbone interact. energy: -0.037
local terms energy: -74.701207
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -190.814612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.814612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.814612 (E_RNA)
where:
Base-Base interactions energy: -129.298
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.007
local terms energy: -61.509615
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -198.662624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.662624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.662624 (E_RNA)
where:
Base-Base interactions energy: -129.645
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.043
local terms energy: -68.974031
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -17.659
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: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -105.151989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.151989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.151989 (E_RNA)
where:
Base-Base interactions energy: -50.573
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.442
local terms energy: -54.136876
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -94.370282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.370282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.370282 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -29.728
Base-Backbone interact. energy: -0.347
local terms energy: -44.853812
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -9.806
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: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -89.604613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.604613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.604613 (E_RNA)
where:
Base-Base interactions energy: -30.605
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.009
local terms energy: -58.990913
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -114.028650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.028650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.028650 (E_RNA)
where:
Base-Base interactions energy: -59.756
where: short stacking energy: -35.822
Base-Backbone interact. energy: -0.071
local terms energy: -54.201661
where:
bonds (distance) C4'-P energy: -5.909
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -78.344271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.344271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.344271 (E_RNA)
where:
Base-Base interactions energy: -30.306
where: short stacking energy: -28.219
Base-Backbone interact. energy: -0.143
local terms energy: -47.894644
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -231.112955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.112955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.112955 (E_RNA)
where:
Base-Base interactions energy: -150.575
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.217
local terms energy: -80.321194
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.523
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: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -228.761573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.761573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.761573 (E_RNA)
where:
Base-Base interactions energy: -157.690
where: short stacking energy: -74.486
Base-Backbone interact. energy: -0.006
local terms energy: -71.064904
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -224.414845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.414845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.414845 (E_RNA)
where:
Base-Base interactions energy: -144.363
where: short stacking energy: -69.637
Base-Backbone interact. energy: -0.002
local terms energy: -80.049771
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -183.376037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.376037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.376037 (E_RNA)
where:
Base-Base interactions energy: -117.993
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.083
local terms energy: -65.300038
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -196.916145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.916145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.916145 (E_RNA)
where:
Base-Base interactions energy: -125.325
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.013
local terms energy: -71.578832
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -9.195
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: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -94.158325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.158325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.158325 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.191
local terms energy: -54.341292
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -94.854315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.854315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.854315 (E_RNA)
where:
Base-Base interactions energy: -38.049
where: short stacking energy: -35.902
Base-Backbone interact. energy: 0.325
local terms energy: -57.130638
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -7.854
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: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -83.334878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.334878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.334878 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.192
local terms energy: -46.387977
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -79.143225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.143225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.143225 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -23.460
Base-Backbone interact. energy: -0.209
local terms energy: -42.599758
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -8.443
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -85.861493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.861493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.861493 (E_RNA)
where:
Base-Base interactions energy: -36.986
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.257
local terms energy: -48.619126
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -8.592
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -6.011
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: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -235.505454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.505454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.505454 (E_RNA)
where:
Base-Base interactions energy: -153.830
where: short stacking energy: -78.587
Base-Backbone interact. energy: -0.006
local terms energy: -81.669336
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -230.495885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.495885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.495885 (E_RNA)
where:
Base-Base interactions energy: -160.044
where: short stacking energy: -73.171
Base-Backbone interact. energy: -0.331
local terms energy: -70.120406
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -225.919705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.919705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.919705 (E_RNA)
where:
Base-Base interactions energy: -156.009
where: short stacking energy: -75.935
Base-Backbone interact. energy: -0.001
local terms energy: -69.909139
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.077
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: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -204.261224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.261224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.261224 (E_RNA)
where:
Base-Base interactions energy: -129.594
where: short stacking energy: -62.041
Base-Backbone interact. energy: -0.003
local terms energy: -74.664235
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -169.448380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.448380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.448380 (E_RNA)
where:
Base-Base interactions energy: -109.663
where: short stacking energy: -55.802
Base-Backbone interact. energy: 0.337
local terms energy: -60.122041
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -14.990
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: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -90.659419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.659419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.659419 (E_RNA)
where:
Base-Base interactions energy: -32.940
where: short stacking energy: -32.940
Base-Backbone interact. energy: -0.035
local terms energy: -57.684183
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -92.632397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.632397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.632397 (E_RNA)
where:
Base-Base interactions energy: -34.841
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.055
local terms energy: -57.737063
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -93.935083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.935083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.935083 (E_RNA)
where:
Base-Base interactions energy: -47.370
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.270
local terms energy: -46.295187
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -6.060
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: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -78.196527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.196527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.196527 (E_RNA)
where:
Base-Base interactions energy: -26.310
where: short stacking energy: -25.885
Base-Backbone interact. energy: -0.098
local terms energy: -51.788425
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -4.806
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: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -74.811487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.811487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.811487 (E_RNA)
where:
Base-Base interactions energy: -23.914
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.099
local terms energy: -50.799037
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -234.819481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.819481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.819481 (E_RNA)
where:
Base-Base interactions energy: -157.186
where: short stacking energy: -78.617
Base-Backbone interact. energy: -0.001
local terms energy: -77.632925
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -233.972323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.972323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.972323 (E_RNA)
where:
Base-Base interactions energy: -162.646
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.002
local terms energy: -71.324986
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -223.047961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.047961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.047961 (E_RNA)
where:
Base-Base interactions energy: -145.730
where: short stacking energy: -73.999
Base-Backbone interact. energy: -0.006
local terms energy: -77.312582
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -11.824
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: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -199.819607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.819607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.819607 (E_RNA)
where:
Base-Base interactions energy: -134.528
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.713
local terms energy: -64.578632
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -177.801120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.801120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.801120 (E_RNA)
where:
Base-Base interactions energy: -108.537
where: short stacking energy: -52.312
Base-Backbone interact. energy: 0.329
local terms energy: -69.593463
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -98.391230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.391230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.391230 (E_RNA)
where:
Base-Base interactions energy: -41.977
where: short stacking energy: -41.794
Base-Backbone interact. energy: -0.036
local terms energy: -56.377995
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -11.375
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: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -102.938863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.938863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.938863 (E_RNA)
where:
Base-Base interactions energy: -54.022
where: short stacking energy: -44.047
Base-Backbone interact. energy: 4.308
local terms energy: -53.224392
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -95.120267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.120267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.120267 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.194
local terms energy: -54.949764
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.370431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.370431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.370431 (E_RNA)
where:
Base-Base interactions energy: -41.478
where: short stacking energy: -28.270
Base-Backbone interact. energy: -2.030
local terms energy: -41.862348
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -78.654175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.654175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.654175 (E_RNA)
where:
Base-Base interactions energy: -30.549
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.192
local terms energy: -47.913335
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -232.953985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.953985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.953985 (E_RNA)
where:
Base-Base interactions energy: -149.015
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.003
local terms energy: -83.936143
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -228.802654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.802654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.802654 (E_RNA)
where:
Base-Base interactions energy: -153.379
where: short stacking energy: -72.855
Base-Backbone interact. energy: -0.001
local terms energy: -75.422105
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -22.275
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: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -225.331686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.331686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.331686 (E_RNA)
where:
Base-Base interactions energy: -154.300
where: short stacking energy: -74.661
Base-Backbone interact. energy: -0.001
local terms energy: -71.030360
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -206.801628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.801628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.801628 (E_RNA)
where:
Base-Base interactions energy: -136.248
where: short stacking energy: -70.629
Base-Backbone interact. energy: -0.016
local terms energy: -70.537581
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -19.022
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: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -202.214586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.214586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.214586 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -58.236
Base-Backbone interact. energy: -0.015
local terms energy: -73.717897
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -13.918
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: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -100.120213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.120213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.120213 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -38.171
Base-Backbone interact. energy: 0.431
local terms energy: -57.595021
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -90.052162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.052162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.052162 (E_RNA)
where:
Base-Base interactions energy: -35.417
where: short stacking energy: -30.246
Base-Backbone interact. energy: 1.052
local terms energy: -55.687144
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -92.313647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.313647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.313647 (E_RNA)
where:
Base-Base interactions energy: -35.271
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.192
local terms energy: -56.851226
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -73.695896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.695896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.695896 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -29.463
Base-Backbone interact. energy: 0.007
local terms energy: -44.181121
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -5.533
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: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -82.758179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.758179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.758179 (E_RNA)
where:
Base-Base interactions energy: -40.284
where: short stacking energy: -17.737
Base-Backbone interact. energy: -1.080
local terms energy: -41.394098
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -2.346
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: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -235.622518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.622518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.622518 (E_RNA)
where:
Base-Base interactions energy: -162.346
where: short stacking energy: -73.693
Base-Backbone interact. energy: 0.603
local terms energy: -73.879828
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -234.888803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.888803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.888803 (E_RNA)
where:
Base-Base interactions energy: -153.133
where: short stacking energy: -70.373
Base-Backbone interact. energy: -0.001
local terms energy: -81.755645
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -230.424036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.424036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.424036 (E_RNA)
where:
Base-Base interactions energy: -151.024
where: short stacking energy: -75.320
Base-Backbone interact. energy: -0.004
local terms energy: -79.396022
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -210.400081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.400081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.400081 (E_RNA)
where:
Base-Base interactions energy: -137.660
where: short stacking energy: -69.313
Base-Backbone interact. energy: -0.002
local terms energy: -72.737428
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -211.118959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.118959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.118959 (E_RNA)
where:
Base-Base interactions energy: -134.400
where: short stacking energy: -68.023
Base-Backbone interact. energy: -0.112
local terms energy: -76.607441
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -106.409445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.409445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.409445 (E_RNA)
where:
Base-Base interactions energy: -46.671
where: short stacking energy: -45.389
Base-Backbone interact. energy: -0.173
local terms energy: -59.565558
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -91.989348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.989348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.989348 (E_RNA)
where:
Base-Base interactions energy: -45.416
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.761
local terms energy: -45.812839
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -0.510
tors. eta vs tors. theta energy: 1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -80.570407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570407 (E_RNA)
where:
Base-Base interactions energy: -21.290
where: short stacking energy: -21.290
Base-Backbone interact. energy: -0.097
local terms energy: -59.183410
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -80.595523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.595523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.595523 (E_RNA)
where:
Base-Base interactions energy: -27.759
where: short stacking energy: -27.228
Base-Backbone interact. energy: -0.371
local terms energy: -52.465650
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -82.491648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491648 (E_RNA)
where:
Base-Base interactions energy: -29.018
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.050
local terms energy: -53.424309
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -236.123820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.123820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.123820 (E_RNA)
where:
Base-Base interactions energy: -156.352
where: short stacking energy: -74.238
Base-Backbone interact. energy: -0.002
local terms energy: -79.769922
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -13.470
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: 347
Temperature: 0.950000
Total energy: -220.184555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.184555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.184555 (E_RNA)
where:
Base-Base interactions energy: -142.351
where: short stacking energy: -66.005
Base-Backbone interact. energy: -0.242
local terms energy: -77.591731
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -223.952035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.952035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.952035 (E_RNA)
where:
Base-Base interactions energy: -151.687
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.005
local terms energy: -72.260655
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -205.563472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.563472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.563472 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -71.727
Base-Backbone interact. energy: -0.256
local terms energy: -66.020319
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -198.692506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.692506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.692506 (E_RNA)
where:
Base-Base interactions energy: -131.071
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.052
local terms energy: -67.569039
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -105.509347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.509347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.509347 (E_RNA)
where:
Base-Base interactions energy: -48.931
where: short stacking energy: -44.923
Base-Backbone interact. energy: -0.043
local terms energy: -56.535416
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -107.108017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.108017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.108017 (E_RNA)
where:
Base-Base interactions energy: -54.102
where: short stacking energy: -39.296
Base-Backbone interact. energy: -0.129
local terms energy: -52.876345
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -5.274
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: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -81.132874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.132874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.132874 (E_RNA)
where:
Base-Base interactions energy: -29.564
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.150
local terms energy: -51.418596
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -0.679
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: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -73.139001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.139001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.139001 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -26.313
Base-Backbone interact. energy: -0.196
local terms energy: -36.028071
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -4.527
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -6.847
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: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -71.574629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.574629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.574629 (E_RNA)
where:
Base-Base interactions energy: -29.994
where: short stacking energy: -27.192
Base-Backbone interact. energy: -0.132
local terms energy: -41.449063
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -9.789
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: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -202.645651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645651 (E_RNA)
where:
Base-Base interactions energy: -133.375
where: short stacking energy: -58.609
Base-Backbone interact. energy: 0.816
local terms energy: -70.086832
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -235.335683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.335683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.335683 (E_RNA)
where:
Base-Base interactions energy: -153.641
where: short stacking energy: -72.711
Base-Backbone interact. energy: -0.005
local terms energy: -81.688917
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -207.139777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.139777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.139777 (E_RNA)
where:
Base-Base interactions energy: -131.363
where: short stacking energy: -65.491
Base-Backbone interact. energy: -0.096
local terms energy: -75.680701
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -20.503
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: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -227.934702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.934702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.934702 (E_RNA)
where:
Base-Base interactions energy: -155.979
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.468
local terms energy: -71.488408
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -19.726
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -195.526913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.526913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.526913 (E_RNA)
where:
Base-Base interactions energy: -128.533
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.007
local terms energy: -66.986863
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -94.390550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.390550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.390550 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.134
local terms energy: -53.556958
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -98.294649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.294649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.294649 (E_RNA)
where:
Base-Base interactions energy: -51.350
where: short stacking energy: -16.539
Base-Backbone interact. energy: -0.321
local terms energy: -46.624084
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: 2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -92.802548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.802548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.802548 (E_RNA)
where:
Base-Base interactions energy: -39.261
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.029
local terms energy: -53.512564
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -9.512
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -83.489677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.489677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.489677 (E_RNA)
where:
Base-Base interactions energy: -34.145
where: short stacking energy: -34.145
Base-Backbone interact. energy: -0.178
local terms energy: -49.166757
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -76.456819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.456819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.456819 (E_RNA)
where:
Base-Base interactions energy: -25.896
where: short stacking energy: -24.204
Base-Backbone interact. energy: 0.274
local terms energy: -50.834301
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: 2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -215.890820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.890820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.890820 (E_RNA)
where:
Base-Base interactions energy: -140.676
where: short stacking energy: -71.337
Base-Backbone interact. energy: -0.000
local terms energy: -75.214635
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -230.038409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.038409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.038409 (E_RNA)
where:
Base-Base interactions energy: -149.405
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.003
local terms energy: -80.629898
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -193.081486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.081486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.081486 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -57.982
Base-Backbone interact. energy: -0.050
local terms energy: -71.629199
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.228
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: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -219.341696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341696 (E_RNA)
where:
Base-Base interactions energy: -150.281
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.023
local terms energy: -69.036912
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -196.246912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.246912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.246912 (E_RNA)
where:
Base-Base interactions energy: -126.138
where: short stacking energy: -61.579
Base-Backbone interact. energy: -0.006
local terms energy: -70.103536
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -20.707
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: 349
Temperature: 1.150000
Total energy: -93.978448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.978448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.978448 (E_RNA)
where:
Base-Base interactions energy: -36.340
where: short stacking energy: -35.317
Base-Backbone interact. energy: 1.385
local terms energy: -59.023079
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -10.249
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: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -88.440174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.440174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.440174 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -36.206
Base-Backbone interact. energy: -0.480
local terms energy: -51.754097
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -79.479906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.479906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.479906 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.094
local terms energy: -48.637417
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -85.250449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.250449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.250449 (E_RNA)
where:
Base-Base interactions energy: -28.080
where: short stacking energy: -28.180
Base-Backbone interact. energy: -0.102
local terms energy: -57.068621
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -92.882777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.882777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.882777 (E_RNA)
where:
Base-Base interactions energy: -43.118
where: short stacking energy: -19.213
Base-Backbone interact. energy: 0.353
local terms energy: -50.117568
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -220.109321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.109321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.109321 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -72.118
Base-Backbone interact. energy: -1.341
local terms energy: -76.758763
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -20.615
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: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -234.755493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.755493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.755493 (E_RNA)
where:
Base-Base interactions energy: -152.621
where: short stacking energy: -77.106
Base-Backbone interact. energy: -0.001
local terms energy: -82.133905
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -23.627
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: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -194.184062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.184062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.184062 (E_RNA)
where:
Base-Base interactions energy: -128.981
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.281
local terms energy: -64.922213
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -15.277
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: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -201.489967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.489967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.489967 (E_RNA)
where:
Base-Base interactions energy: -132.871
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.269
local terms energy: -68.349617
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -197.561309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.561309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.561309 (E_RNA)
where:
Base-Base interactions energy: -132.202
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.207
local terms energy: -65.152492
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -104.311470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.311470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.311470 (E_RNA)
where:
Base-Base interactions energy: -47.241
where: short stacking energy: -47.241
Base-Backbone interact. energy: 0.102
local terms energy: -57.173163
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -94.601306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.601306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.601306 (E_RNA)
where:
Base-Base interactions energy: -29.026
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.083
local terms energy: -65.492839
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -9.649
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: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -84.067888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067888 (E_RNA)
where:
Base-Base interactions energy: -29.855
where: short stacking energy: -25.702
Base-Backbone interact. energy: -1.520
local terms energy: -52.692990
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -76.414835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.414835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.414835 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.208
local terms energy: -42.821313
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -0.625
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -73.047864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.047864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.047864 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -26.125
Base-Backbone interact. energy: -0.106
local terms energy: -37.612531
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: 2.235
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: 351
Temperature: 0.900000
Total energy: -226.451007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.451007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.451007 (E_RNA)
where:
Base-Base interactions energy: -150.734
where: short stacking energy: -72.180
Base-Backbone interact. energy: -0.000
local terms energy: -75.716715
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -22.194
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: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -228.461929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.461929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.461929 (E_RNA)
where:
Base-Base interactions energy: -147.501
where: short stacking energy: -70.100
Base-Backbone interact. energy: -0.001
local terms energy: -80.960108
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -215.756034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.756034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.756034 (E_RNA)
where:
Base-Base interactions energy: -143.325
where: short stacking energy: -63.196
Base-Backbone interact. energy: -0.249
local terms energy: -72.182035
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -206.433193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.433193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.433193 (E_RNA)
where:
Base-Base interactions energy: -128.936
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.628
local terms energy: -76.868503
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.118
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: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -195.924092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.924092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.924092 (E_RNA)
where:
Base-Base interactions energy: -128.551
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.033
local terms energy: -67.339448
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -98.207098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.207098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.207098 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -39.440
Base-Backbone interact. energy: -0.024
local terms energy: -57.529082
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.394
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: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -90.079465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.079465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.079465 (E_RNA)
where:
Base-Base interactions energy: -37.824
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.585
local terms energy: -51.669997
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -94.463109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463109 (E_RNA)
where:
Base-Base interactions energy: -43.053
where: short stacking energy: -41.750
Base-Backbone interact. energy: -0.098
local terms energy: -51.312420
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -107.630789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.630789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.630789 (E_RNA)
where:
Base-Base interactions energy: -66.118
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.191
local terms energy: -41.321306
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -0.280
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -75.723937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.723937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.723937 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.154
local terms energy: -49.345910
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -234.242309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.242309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.242309 (E_RNA)
where:
Base-Base interactions energy: -155.624
where: short stacking energy: -72.733
Base-Backbone interact. energy: -0.042
local terms energy: -78.575814
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -217.250669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.250669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.250669 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -75.671
Base-Backbone interact. energy: -0.124
local terms energy: -74.226083
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -210.250613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.250613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.250613 (E_RNA)
where:
Base-Base interactions energy: -140.970
where: short stacking energy: -61.101
Base-Backbone interact. energy: 0.242
local terms energy: -69.522983
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -200.211698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.211698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.211698 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.475
local terms energy: -72.497830
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -186.535394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.535394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.535394 (E_RNA)
where:
Base-Base interactions energy: -123.753
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.017
local terms energy: -62.765409
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -89.039501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.039501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.039501 (E_RNA)
where:
Base-Base interactions energy: -33.323
where: short stacking energy: -33.323
Base-Backbone interact. energy: -0.082
local terms energy: -55.634680
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -88.263762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263762 (E_RNA)
where:
Base-Base interactions energy: -43.174
where: short stacking energy: -30.618
Base-Backbone interact. energy: -0.458
local terms energy: -44.631272
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -3.117
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -87.246595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.246595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.246595 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.305
local terms energy: -49.550906
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -8.062
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: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -81.969987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.969987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.969987 (E_RNA)
where:
Base-Base interactions energy: -32.265
where: short stacking energy: -27.815
Base-Backbone interact. energy: -0.025
local terms energy: -49.679550
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -74.637259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.637259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.637259 (E_RNA)
where:
Base-Base interactions energy: -23.243
where: short stacking energy: -23.243
Base-Backbone interact. energy: -0.124
local terms energy: -51.270073
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -236.041305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.041305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.041305 (E_RNA)
where:
Base-Base interactions energy: -157.281
where: short stacking energy: -73.535
Base-Backbone interact. energy: -0.235
local terms energy: -78.525768
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -218.373831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.373831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.373831 (E_RNA)
where:
Base-Base interactions energy: -141.620
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.002
local terms energy: -76.752105
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -233.669742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.669742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.669742 (E_RNA)
where:
Base-Base interactions energy: -154.303
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.360
local terms energy: -79.006107
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -23.986
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: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -177.387121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.387121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.387121 (E_RNA)
where:
Base-Base interactions energy: -107.301
where: short stacking energy: -47.123
Base-Backbone interact. energy: -0.009
local terms energy: -70.077208
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -198.948292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.948292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.948292 (E_RNA)
where:
Base-Base interactions energy: -125.329
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.004
local terms energy: -73.615403
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -99.101585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.101585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.101585 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.005
local terms energy: -56.861642
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -91.729704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.729704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.729704 (E_RNA)
where:
Base-Base interactions energy: -37.731
where: short stacking energy: -31.026
Base-Backbone interact. energy: -0.054
local terms energy: -53.944674
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -7.422
flat angles P-C4'-P energy: -9.595
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: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -76.516520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.516520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.516520 (E_RNA)
where:
Base-Base interactions energy: -22.369
where: short stacking energy: -22.219
Base-Backbone interact. energy: -0.367
local terms energy: -53.780684
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -84.170504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.170504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.170504 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -34.090
Base-Backbone interact. energy: -0.171
local terms energy: -49.832636
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -78.938877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.938877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.938877 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -18.593
Base-Backbone interact. energy: -0.179
local terms energy: -54.240997
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -224.423834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.423834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.423834 (E_RNA)
where:
Base-Base interactions energy: -149.076
where: short stacking energy: -71.948
Base-Backbone interact. energy: -0.027
local terms energy: -75.321194
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -236.010996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.010996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.010996 (E_RNA)
where:
Base-Base interactions energy: -161.610
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.332
local terms energy: -74.068894
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -226.737667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.737667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.737667 (E_RNA)
where:
Base-Base interactions energy: -148.699
where: short stacking energy: -72.944
Base-Backbone interact. energy: -0.002
local terms energy: -78.036735
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -204.697489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.697489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.697489 (E_RNA)
where:
Base-Base interactions energy: -138.125
where: short stacking energy: -58.436
Base-Backbone interact. energy: -0.084
local terms energy: -66.488095
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -18.242
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: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -199.125115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.125115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.125115 (E_RNA)
where:
Base-Base interactions energy: -122.553
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.014
local terms energy: -76.558869
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -95.298376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.298376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.298376 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.127
local terms energy: -56.531741
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -6.245
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: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -106.422528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.422528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.422528 (E_RNA)
where:
Base-Base interactions energy: -57.345
where: short stacking energy: -28.678
Base-Backbone interact. energy: -0.355
local terms energy: -48.722497
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -89.516944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.516944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.516944 (E_RNA)
where:
Base-Base interactions energy: -42.502
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.039
local terms energy: -46.975444
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -86.322072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.322072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.322072 (E_RNA)
where:
Base-Base interactions energy: -41.098
where: short stacking energy: -30.934
Base-Backbone interact. energy: -0.137
local terms energy: -45.087750
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -84.508181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.508181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.508181 (E_RNA)
where:
Base-Base interactions energy: -37.124
where: short stacking energy: -31.645
Base-Backbone interact. energy: 0.522
local terms energy: -47.906608
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -224.656902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656902 (E_RNA)
where:
Base-Base interactions energy: -142.943
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.178
local terms energy: -81.536493
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -21.669
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: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -237.980930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.980930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.980930 (E_RNA)
where:
Base-Base interactions energy: -153.866
where: short stacking energy: -71.506
Base-Backbone interact. energy: -0.591
local terms energy: -83.523947
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -225.236096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.236096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.236096 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -74.801
Base-Backbone interact. energy: -0.003
local terms energy: -82.057295
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -12.817
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: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -191.094757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.094757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.094757 (E_RNA)
where:
Base-Base interactions energy: -112.986
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.193
local terms energy: -77.915796
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -187.763668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.763668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.763668 (E_RNA)
where:
Base-Base interactions energy: -117.298
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.146
local terms energy: -70.320145
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.085
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: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -103.074031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.074031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.074031 (E_RNA)
where:
Base-Base interactions energy: -46.458
where: short stacking energy: -32.421
Base-Backbone interact. energy: -0.245
local terms energy: -56.370691
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -94.325169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.325169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.325169 (E_RNA)
where:
Base-Base interactions energy: -41.017
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.355
local terms energy: -52.953200
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -2.264
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: 355
Temperature: 1.250000
Total energy: -86.302578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.302578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.302578 (E_RNA)
where:
Base-Base interactions energy: -40.510
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.044
local terms energy: -45.748981
where:
bonds (distance) C4'-P energy: -7.302
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -76.368330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.368330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.368330 (E_RNA)
where:
Base-Base interactions energy: -23.004
where: short stacking energy: -23.004
Base-Backbone interact. energy: -0.253
local terms energy: -53.111088
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -77.949752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.949752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.949752 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -27.768
Base-Backbone interact. energy: -0.101
local terms energy: -50.080241
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -234.250002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.250002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.250002 (E_RNA)
where:
Base-Base interactions energy: -166.320
where: short stacking energy: -74.487
Base-Backbone interact. energy: -0.241
local terms energy: -67.688277
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -19.035
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: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -209.353703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.353703 (E_RNA)
where:
Base-Base interactions energy: -132.934
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.016
local terms energy: -76.404143
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -212.148603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.148603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.148603 (E_RNA)
where:
Base-Base interactions energy: -136.183
where: short stacking energy: -66.652
Base-Backbone interact. energy: -0.038
local terms energy: -75.927787
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -185.457862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.457862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.457862 (E_RNA)
where:
Base-Base interactions energy: -111.342
where: short stacking energy: -48.918
Base-Backbone interact. energy: 0.549
local terms energy: -74.665127
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.888
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: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -187.020236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.020236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.020236 (E_RNA)
where:
Base-Base interactions energy: -116.557
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.065
local terms energy: -70.397625
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -94.203248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.203248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.203248 (E_RNA)
where:
Base-Base interactions energy: -38.583
where: short stacking energy: -33.066
Base-Backbone interact. energy: -0.314
local terms energy: -55.306327
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -92.138023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.138023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.138023 (E_RNA)
where:
Base-Base interactions energy: -38.235
where: short stacking energy: -38.235
Base-Backbone interact. energy: -0.001
local terms energy: -53.902139
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -11.098
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: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -86.092073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092073 (E_RNA)
where:
Base-Base interactions energy: -40.326
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.026
local terms energy: -45.740869
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -75.097740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.097740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.097740 (E_RNA)
where:
Base-Base interactions energy: -27.338
where: short stacking energy: -21.129
Base-Backbone interact. energy: -0.060
local terms energy: -47.699755
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -79.574113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.574113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.574113 (E_RNA)
where:
Base-Base interactions energy: -27.408
where: short stacking energy: -28.108
Base-Backbone interact. energy: -0.262
local terms energy: -51.904261
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -10.915
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: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -233.409628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.409628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.409628 (E_RNA)
where:
Base-Base interactions energy: -156.966
where: short stacking energy: -74.118
Base-Backbone interact. energy: -0.352
local terms energy: -76.092032
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -235.526103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.526103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.526103 (E_RNA)
where:
Base-Base interactions energy: -160.906
where: short stacking energy: -78.845
Base-Backbone interact. energy: -0.000
local terms energy: -74.620318
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -22.307
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: 357
Temperature: 1.000000
Total energy: -211.872009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.872009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.872009 (E_RNA)
where:
Base-Base interactions energy: -135.536
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.460
local terms energy: -75.876377
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -21.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -219.890863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890863 (E_RNA)
where:
Base-Base interactions energy: -146.041
where: short stacking energy: -66.688
Base-Backbone interact. energy: -0.031
local terms energy: -73.818199
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -188.760754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.760754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.760754 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -54.413
Base-Backbone interact. energy: -0.164
local terms energy: -68.673934
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -89.692168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.692168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.692168 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -34.281
Base-Backbone interact. energy: -0.193
local terms energy: -54.687020
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.594
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: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -83.689351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689351 (E_RNA)
where:
Base-Base interactions energy: -39.223
where: short stacking energy: -20.519
Base-Backbone interact. energy: -0.288
local terms energy: -44.178429
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: 1.170
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: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -87.783841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.783841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.783841 (E_RNA)
where:
Base-Base interactions energy: -33.318
where: short stacking energy: -32.277
Base-Backbone interact. energy: -0.021
local terms energy: -54.444740
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -78.102156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.102156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.102156 (E_RNA)
where:
Base-Base interactions energy: -34.720
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.062
local terms energy: -43.320187
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -81.288448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.288448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.288448 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -25.353
Base-Backbone interact. energy: -0.286
local terms energy: -45.975694
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -228.784582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.784582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.784582 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -77.463
Base-Backbone interact. energy: -0.079
local terms energy: -82.637693
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -234.993062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.993062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.993062 (E_RNA)
where:
Base-Base interactions energy: -152.651
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.001
local terms energy: -82.340481
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -208.445384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.445384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.445384 (E_RNA)
where:
Base-Base interactions energy: -132.555
where: short stacking energy: -63.201
Base-Backbone interact. energy: -0.743
local terms energy: -75.147177
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -196.670271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.670271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.670271 (E_RNA)
where:
Base-Base interactions energy: -123.336
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.042
local terms energy: -73.291730
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -203.996579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.996579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.996579 (E_RNA)
where:
Base-Base interactions energy: -137.738
where: short stacking energy: -64.406
Base-Backbone interact. energy: -0.008
local terms energy: -66.250888
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.496
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: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -100.700174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.700174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.700174 (E_RNA)
where:
Base-Base interactions energy: -36.210
where: short stacking energy: -36.165
Base-Backbone interact. energy: 0.770
local terms energy: -65.259999
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -93.521519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.521519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.521519 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.225
local terms energy: -54.083238
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -4.412
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: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -85.913500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913500 (E_RNA)
where:
Base-Base interactions energy: -36.187
where: short stacking energy: -33.975
Base-Backbone interact. energy: 0.078
local terms energy: -49.804896
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -83.052100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.052100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.052100 (E_RNA)
where:
Base-Base interactions energy: -28.903
where: short stacking energy: -28.903
Base-Backbone interact. energy: -0.132
local terms energy: -54.017486
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -72.826744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.826744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.826744 (E_RNA)
where:
Base-Base interactions energy: -32.078
where: short stacking energy: -27.256
Base-Backbone interact. energy: -0.195
local terms energy: -40.553746
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -0.259
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -234.827963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.827963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.827963 (E_RNA)
where:
Base-Base interactions energy: -157.485
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.903
local terms energy: -76.439814
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -229.156443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.156443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.156443 (E_RNA)
where:
Base-Base interactions energy: -155.686
where: short stacking energy: -71.314
Base-Backbone interact. energy: -0.011
local terms energy: -73.459527
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -208.648518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.648518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.648518 (E_RNA)
where:
Base-Base interactions energy: -137.942
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.163
local terms energy: -70.543328
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -206.944867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.944867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.944867 (E_RNA)
where:
Base-Base interactions energy: -136.018
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.264
local terms energy: -70.662370
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -15.606
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: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -198.901306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.901306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.901306 (E_RNA)
where:
Base-Base interactions energy: -134.723
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.029
local terms energy: -64.149206
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -99.028735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.028735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.028735 (E_RNA)
where:
Base-Base interactions energy: -39.433
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.103
local terms energy: -59.492292
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -91.036890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.036890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.036890 (E_RNA)
where:
Base-Base interactions energy: -40.261
where: short stacking energy: -34.696
Base-Backbone interact. energy: 1.382
local terms energy: -52.158740
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -2.248
tors. eta vs tors. theta energy: -9.902
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: 359
Temperature: 1.250000
Total energy: -77.408804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.408804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.408804 (E_RNA)
where:
Base-Base interactions energy: -29.849
where: short stacking energy: -28.037
Base-Backbone interact. energy: 0.266
local terms energy: -47.826125
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -73.975420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.975420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.975420 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -20.161
Base-Backbone interact. energy: -0.233
local terms energy: -43.752233
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: 1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -71.572707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.572707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.572707 (E_RNA)
where:
Base-Base interactions energy: -26.029
where: short stacking energy: -22.611
Base-Backbone interact. energy: -0.221
local terms energy: -45.322067
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -220.911095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.911095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.911095 (E_RNA)
where:
Base-Base interactions energy: -148.335
where: short stacking energy: -74.211
Base-Backbone interact. energy: -0.019
local terms energy: -72.557618
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -234.164621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.164621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.164621 (E_RNA)
where:
Base-Base interactions energy: -156.771
where: short stacking energy: -77.126
Base-Backbone interact. energy: -0.003
local terms energy: -77.390384
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.106
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: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -219.009993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.009993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.009993 (E_RNA)
where:
Base-Base interactions energy: -142.349
where: short stacking energy: -72.572
Base-Backbone interact. energy: -0.125
local terms energy: -76.535403
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -208.477421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.477421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.477421 (E_RNA)
where:
Base-Base interactions energy: -134.552
where: short stacking energy: -61.904
Base-Backbone interact. energy: 0.403
local terms energy: -74.328250
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -17.972
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: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -190.872905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.872905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.872905 (E_RNA)
where:
Base-Base interactions energy: -121.456
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.004
local terms energy: -69.412868
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.152
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: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -99.865482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.865482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.865482 (E_RNA)
where:
Base-Base interactions energy: -37.310
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.082
local terms energy: -62.473193
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -85.323061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.323061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.323061 (E_RNA)
where:
Base-Base interactions energy: -40.140
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.581
local terms energy: -44.602032
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -2.332
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: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -87.475036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.475036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.475036 (E_RNA)
where:
Base-Base interactions energy: -26.909
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.349
local terms energy: -60.217189
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -88.551163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.551163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.551163 (E_RNA)
where:
Base-Base interactions energy: -40.440
where: short stacking energy: -21.714
Base-Backbone interact. energy: 0.537
local terms energy: -48.647743
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -86.857749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.857749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.857749 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -31.344
Base-Backbone interact. energy: 1.376
local terms energy: -44.188453
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -224.658767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.658767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.658767 (E_RNA)
where:
Base-Base interactions energy: -153.321
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.089
local terms energy: -71.248990
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.707
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: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -224.645358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.645358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.645358 (E_RNA)
where:
Base-Base interactions energy: -155.262
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.003
local terms energy: -69.380360
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -231.189121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.189121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.189121 (E_RNA)
where:
Base-Base interactions energy: -150.999
where: short stacking energy: -75.778
Base-Backbone interact. energy: -0.010
local terms energy: -80.180110
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.893
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: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -201.979358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.979358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.979358 (E_RNA)
where:
Base-Base interactions energy: -135.007
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.000
local terms energy: -66.972430
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -196.000241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.000241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.000241 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.023
local terms energy: -68.892766
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.812
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: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -85.199147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.199147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.199147 (E_RNA)
where:
Base-Base interactions energy: -35.024
where: short stacking energy: -21.428
Base-Backbone interact. energy: 0.223
local terms energy: -50.398461
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: 2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -83.850138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.850138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.850138 (E_RNA)
where:
Base-Base interactions energy: -38.960
where: short stacking energy: -21.542
Base-Backbone interact. energy: -0.370
local terms energy: -44.520255
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -85.652199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.652199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.652199 (E_RNA)
where:
Base-Base interactions energy: -27.610
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.038
local terms energy: -58.003754
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -80.277659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.277659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.277659 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -31.902
Base-Backbone interact. energy: 0.563
local terms energy: -49.037806
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -5.192
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: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -78.269041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.269041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.269041 (E_RNA)
where:
Base-Base interactions energy: -24.129
where: short stacking energy: -21.624
Base-Backbone interact. energy: 0.275
local terms energy: -54.415400
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -8.158
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: 362
Temperature: 0.900000
Total energy: -233.478726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.478726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.478726 (E_RNA)
where:
Base-Base interactions energy: -158.791
where: short stacking energy: -76.283
Base-Backbone interact. energy: 0.075
local terms energy: -74.763046
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -232.872370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.872370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.872370 (E_RNA)
where:
Base-Base interactions energy: -156.559
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.002
local terms energy: -76.311252
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -228.877276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.877276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.877276 (E_RNA)
where:
Base-Base interactions energy: -155.068
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.001
local terms energy: -73.808803
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -21.301
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: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -200.588779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.588779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.588779 (E_RNA)
where:
Base-Base interactions energy: -128.170
where: short stacking energy: -62.072
Base-Backbone interact. energy: -0.015
local terms energy: -72.404291
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.198
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: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -197.083122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.083122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.083122 (E_RNA)
where:
Base-Base interactions energy: -129.728
where: short stacking energy: -66.903
Base-Backbone interact. energy: -0.062
local terms energy: -67.293052
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -105.093794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.093794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.093794 (E_RNA)
where:
Base-Base interactions energy: -47.357
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.004
local terms energy: -57.732765
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.209
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: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -90.454288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.454288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.454288 (E_RNA)
where:
Base-Base interactions energy: -41.004
where: short stacking energy: -23.346
Base-Backbone interact. energy: 0.713
local terms energy: -50.163111
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: 1.897
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -94.886233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.886233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.886233 (E_RNA)
where:
Base-Base interactions energy: -44.196
where: short stacking energy: -41.900
Base-Backbone interact. energy: -0.011
local terms energy: -50.678434
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -7.864
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: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -95.575061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.575061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.575061 (E_RNA)
where:
Base-Base interactions energy: -42.492
where: short stacking energy: -32.194
Base-Backbone interact. energy: -0.119
local terms energy: -52.964263
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -75.102534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.102534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.102534 (E_RNA)
where:
Base-Base interactions energy: -37.526
where: short stacking energy: -37.526
Base-Backbone interact. energy: 1.438
local terms energy: -39.013917
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -1.089
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: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -236.842992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.842992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.842992 (E_RNA)
where:
Base-Base interactions energy: -161.488
where: short stacking energy: -73.398
Base-Backbone interact. energy: -0.247
local terms energy: -75.108031
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -233.018299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.018299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.018299 (E_RNA)
where:
Base-Base interactions energy: -156.217
where: short stacking energy: -74.287
Base-Backbone interact. energy: -0.008
local terms energy: -76.793230
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -225.431131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.431131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.431131 (E_RNA)
where:
Base-Base interactions energy: -148.650
where: short stacking energy: -74.147
Base-Backbone interact. energy: -0.001
local terms energy: -76.779950
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -199.342509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.342509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.342509 (E_RNA)
where:
Base-Base interactions energy: -132.919
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.047
local terms energy: -66.375889
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -16.848
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: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -205.636247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.636247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.636247 (E_RNA)
where:
Base-Base interactions energy: -133.646
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.011
local terms energy: -71.978803
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -100.293845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.293845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.293845 (E_RNA)
where:
Base-Base interactions energy: -54.993
where: short stacking energy: -33.604
Base-Backbone interact. energy: -1.384
local terms energy: -43.916989
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -7.268
flat angles P-C4'-P energy: -9.511
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: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -98.907475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.907475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.907475 (E_RNA)
where:
Base-Base interactions energy: -37.381
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.058
local terms energy: -61.468061
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -8.339
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: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -79.306544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.306544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.306544 (E_RNA)
where:
Base-Base interactions energy: -27.846
where: short stacking energy: -19.249
Base-Backbone interact. energy: -0.069
local terms energy: -51.391532
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -85.813917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.813917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.813917 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -18.537
Base-Backbone interact. energy: -0.164
local terms energy: -59.410627
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -75.116904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.116904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.116904 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -19.114
Base-Backbone interact. energy: -0.396
local terms energy: -39.612609
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: 4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -220.642552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.642552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.642552 (E_RNA)
where:
Base-Base interactions energy: -140.374
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.101
local terms energy: -80.167730
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -232.562458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.562458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.562458 (E_RNA)
where:
Base-Base interactions energy: -154.369
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.298
local terms energy: -77.895454
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -22.529
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: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -230.501990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.501990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.501990 (E_RNA)
where:
Base-Base interactions energy: -147.853
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.003
local terms energy: -82.646658
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -204.668676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.668676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.668676 (E_RNA)
where:
Base-Base interactions energy: -130.180
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.517
local terms energy: -73.971453
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.844
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: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -199.662208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.662208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.662208 (E_RNA)
where:
Base-Base interactions energy: -128.835
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.006
local terms energy: -70.820617
where:
bonds (distance) C4'-P energy: -8.536
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -11.855
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: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -96.005625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.005625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.005625 (E_RNA)
where:
Base-Base interactions energy: -42.280
where: short stacking energy: -40.998
Base-Backbone interact. energy: -0.274
local terms energy: -53.450860
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -84.509991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.509991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.509991 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.127
local terms energy: -46.681785
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -103.436083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.436083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.436083 (E_RNA)
where:
Base-Base interactions energy: -32.901
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.450
local terms energy: -70.085282
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -72.691957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.691957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.691957 (E_RNA)
where:
Base-Base interactions energy: -21.908
where: short stacking energy: -16.349
Base-Backbone interact. energy: -0.200
local terms energy: -50.584704
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -0.560
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: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -72.895797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.895797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.895797 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -23.783
Base-Backbone interact. energy: -0.171
local terms energy: -37.879181
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: 2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -232.354927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.354927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.354927 (E_RNA)
where:
Base-Base interactions energy: -156.696
where: short stacking energy: -78.740
Base-Backbone interact. energy: -0.007
local terms energy: -75.651677
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -19.433
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: 365
Temperature: 0.950000
Total energy: -224.165255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.165255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.165255 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -70.194
Base-Backbone interact. energy: -0.001
local terms energy: -74.140698
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -223.841780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841780 (E_RNA)
where:
Base-Base interactions energy: -143.970
where: short stacking energy: -71.355
Base-Backbone interact. energy: -0.004
local terms energy: -79.867364
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -10.690
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: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -209.810493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.810493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.810493 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -68.364
Base-Backbone interact. energy: -0.182
local terms energy: -72.772471
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.773
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: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -200.401021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.401021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.401021 (E_RNA)
where:
Base-Base interactions energy: -123.669
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.202
local terms energy: -76.530093
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.820
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: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -90.289353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.289353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.289353 (E_RNA)
where:
Base-Base interactions energy: -41.061
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.051
local terms energy: -49.177777
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -108.770938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.770938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.770938 (E_RNA)
where:
Base-Base interactions energy: -44.044
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.226
local terms energy: -64.501305
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -7.946
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: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -83.471282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.471282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.471282 (E_RNA)
where:
Base-Base interactions energy: -33.832
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.102
local terms energy: -49.536535
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -8.123
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -78.493501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.493501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.493501 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -29.621
Base-Backbone interact. energy: 0.679
local terms energy: -49.551167
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -10.969
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: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -73.878666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.878666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.878666 (E_RNA)
where:
Base-Base interactions energy: -28.498
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.051
local terms energy: -45.329037
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -1.833
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -236.607330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.607330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.607330 (E_RNA)
where:
Base-Base interactions energy: -153.566
where: short stacking energy: -75.386
Base-Backbone interact. energy: -0.000
local terms energy: -83.041097
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -22.382
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: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -227.122601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.122601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.122601 (E_RNA)
where:
Base-Base interactions energy: -147.226
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.577
local terms energy: -79.319167
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -230.330478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.330478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.330478 (E_RNA)
where:
Base-Base interactions energy: -150.855
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.117
local terms energy: -79.358036
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -10.516
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: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -206.216910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.216910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.216910 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.639
local terms energy: -75.111734
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -193.670125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.670125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.670125 (E_RNA)
where:
Base-Base interactions energy: -125.931
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.032
local terms energy: -67.707122
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.692
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: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -110.984642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.984642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.984642 (E_RNA)
where:
Base-Base interactions energy: -57.157
where: short stacking energy: -46.800
Base-Backbone interact. energy: -0.169
local terms energy: -53.657964
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -90.780869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.780869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.780869 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -28.483
Base-Backbone interact. energy: -0.178
local terms energy: -60.552307
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -87.448996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448996 (E_RNA)
where:
Base-Base interactions energy: -41.533
where: short stacking energy: -15.439
Base-Backbone interact. energy: -0.042
local terms energy: -45.873472
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -1.519
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: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -82.293194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.293194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.293194 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -36.641
Base-Backbone interact. energy: -0.044
local terms energy: -45.607873
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -4.827
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: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -74.675667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.675667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.675667 (E_RNA)
where:
Base-Base interactions energy: -24.188
where: short stacking energy: -24.188
Base-Backbone interact. energy: -0.143
local terms energy: -50.345208
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -6.512
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: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -233.615562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.615562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.615562 (E_RNA)
where:
Base-Base interactions energy: -158.434
where: short stacking energy: -72.888
Base-Backbone interact. energy: -0.246
local terms energy: -74.935601
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -224.570829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.570829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.570829 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.019
local terms energy: -79.239704
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -22.402
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: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -226.180317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.180317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.180317 (E_RNA)
where:
Base-Base interactions energy: -146.325
where: short stacking energy: -68.664
Base-Backbone interact. energy: -0.016
local terms energy: -79.838831
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -21.256
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: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -194.476956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.476956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.476956 (E_RNA)
where:
Base-Base interactions energy: -124.211
where: short stacking energy: -61.900
Base-Backbone interact. energy: 0.722
local terms energy: -70.987899
where:
bonds (distance) C4'-P energy: -8.225
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -19.703
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: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -199.486832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.486832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.486832 (E_RNA)
where:
Base-Base interactions energy: -130.258
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.116
local terms energy: -69.113365
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.684
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: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -91.703106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.703106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.703106 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -40.184
Base-Backbone interact. energy: -0.267
local terms energy: -51.252994
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -7.513
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: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -82.871722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.871722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.871722 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -24.496
Base-Backbone interact. energy: -0.121
local terms energy: -46.658376
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -1.412
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: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -85.388533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.388533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.388533 (E_RNA)
where:
Base-Base interactions energy: -30.370
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.506
local terms energy: -54.511654
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -96.189862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.189862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.189862 (E_RNA)
where:
Base-Base interactions energy: -50.186
where: short stacking energy: -17.842
Base-Backbone interact. energy: -0.519
local terms energy: -45.484064
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: 2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -78.015539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.015539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.015539 (E_RNA)
where:
Base-Base interactions energy: -30.437
where: short stacking energy: -16.919
Base-Backbone interact. energy: 2.432
local terms energy: -50.010497
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -234.176813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.176813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.176813 (E_RNA)
where:
Base-Base interactions energy: -154.004
where: short stacking energy: -72.227
Base-Backbone interact. energy: -0.001
local terms energy: -80.171925
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -20.849
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: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -233.138916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.138916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.138916 (E_RNA)
where:
Base-Base interactions energy: -153.533
where: short stacking energy: -68.828
Base-Backbone interact. energy: -0.001
local terms energy: -79.605430
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -222.289476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.289476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.289476 (E_RNA)
where:
Base-Base interactions energy: -149.061
where: short stacking energy: -65.915
Base-Backbone interact. energy: -0.302
local terms energy: -72.927137
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -204.210936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.210936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.210936 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.249
local terms energy: -76.596163
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -192.023596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.023596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.023596 (E_RNA)
where:
Base-Base interactions energy: -120.930
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.003
local terms energy: -71.090412
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -108.444048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.444048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.444048 (E_RNA)
where:
Base-Base interactions energy: -59.148
where: short stacking energy: -33.489
Base-Backbone interact. energy: 2.155
local terms energy: -51.450659
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -5.844
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: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -119.073907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.073907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.073907 (E_RNA)
where:
Base-Base interactions energy: -58.946
where: short stacking energy: -39.825
Base-Backbone interact. energy: -0.001
local terms energy: -60.126797
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -82.464057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.464057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.464057 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -27.792
Base-Backbone interact. energy: -0.036
local terms energy: -46.218781
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -9.369
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -101.124707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.124707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.124707 (E_RNA)
where:
Base-Base interactions energy: -51.611
where: short stacking energy: -18.984
Base-Backbone interact. energy: -0.524
local terms energy: -48.989797
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -103.382350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.382350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.382350 (E_RNA)
where:
Base-Base interactions energy: -54.286
where: short stacking energy: -30.855
Base-Backbone interact. energy: 0.093
local terms energy: -49.189125
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -4.562
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: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -234.448782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.448782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.448782 (E_RNA)
where:
Base-Base interactions energy: -153.424
where: short stacking energy: -69.208
Base-Backbone interact. energy: -0.002
local terms energy: -81.023228
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -236.521019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.521019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.521019 (E_RNA)
where:
Base-Base interactions energy: -158.382
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.006
local terms energy: -78.133541
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -229.121092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.121092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.121092 (E_RNA)
where:
Base-Base interactions energy: -155.858
where: short stacking energy: -75.186
Base-Backbone interact. energy: -0.050
local terms energy: -73.213127
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -208.373081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.373081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.373081 (E_RNA)
where:
Base-Base interactions energy: -133.794
where: short stacking energy: -68.418
Base-Backbone interact. energy: -0.040
local terms energy: -74.539177
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -200.570711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.570711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.570711 (E_RNA)
where:
Base-Base interactions energy: -130.239
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.002
local terms energy: -70.330053
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -18.715
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: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -130.872241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.872241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.872241 (E_RNA)
where:
Base-Base interactions energy: -85.325
where: short stacking energy: -37.800
Base-Backbone interact. energy: -0.339
local terms energy: -45.208777
where:
bonds (distance) C4'-P energy: -5.889
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -92.244337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.244337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.244337 (E_RNA)
where:
Base-Base interactions energy: -38.473
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.086
local terms energy: -53.685104
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -85.232840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.232840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.232840 (E_RNA)
where:
Base-Base interactions energy: -32.732
where: short stacking energy: -32.706
Base-Backbone interact. energy: 0.105
local terms energy: -52.606179
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -74.295184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.295184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.295184 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -19.972
Base-Backbone interact. energy: -0.171
local terms energy: -44.696304
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -1.723
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: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -78.194285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.194285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.194285 (E_RNA)
where:
Base-Base interactions energy: -29.327
where: short stacking energy: -23.367
Base-Backbone interact. energy: -0.603
local terms energy: -48.263622
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -8.142
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: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -240.347849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.347849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.347849 (E_RNA)
where:
Base-Base interactions energy: -157.280
where: short stacking energy: -73.369
Base-Backbone interact. energy: 0.390
local terms energy: -83.457550
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -220.519431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.519431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.519431 (E_RNA)
where:
Base-Base interactions energy: -140.947
where: short stacking energy: -69.096
Base-Backbone interact. energy: -0.439
local terms energy: -79.133280
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -209.221292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.221292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.221292 (E_RNA)
where:
Base-Base interactions energy: -132.906
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.019
local terms energy: -76.295996
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -219.450753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.450753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.450753 (E_RNA)
where:
Base-Base interactions energy: -144.293
where: short stacking energy: -69.332
Base-Backbone interact. energy: -0.044
local terms energy: -75.114322
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -132.074334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.074334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.074334 (E_RNA)
where:
Base-Base interactions energy: -67.235
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.132
local terms energy: -64.707492
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -191.133692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.133692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.133692 (E_RNA)
where:
Base-Base interactions energy: -121.702
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.232
local terms energy: -69.199431
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -9.785
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -82.062148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.062148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.062148 (E_RNA)
where:
Base-Base interactions energy: -31.190
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.132
local terms energy: -50.740631
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -75.628076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.628076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.628076 (E_RNA)
where:
Base-Base interactions energy: -28.914
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.022
local terms energy: -46.692629
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -8.832
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -79.999793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999793 (E_RNA)
where:
Base-Base interactions energy: -30.072
where: short stacking energy: -25.281
Base-Backbone interact. energy: -0.316
local terms energy: -49.611499
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -3.641
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: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -76.740439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.740439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.740439 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -29.077
Base-Backbone interact. energy: -0.169
local terms energy: -45.315542
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: 1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -234.621359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.621359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.621359 (E_RNA)
where:
Base-Base interactions energy: -151.696
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.005
local terms energy: -82.919840
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -238.265937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.265937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.265937 (E_RNA)
where:
Base-Base interactions energy: -157.863
where: short stacking energy: -77.043
Base-Backbone interact. energy: -0.630
local terms energy: -79.772844
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -208.255404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.255404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.255404 (E_RNA)
where:
Base-Base interactions energy: -133.962
where: short stacking energy: -65.179
Base-Backbone interact. energy: -0.128
local terms energy: -74.165046
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.746
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: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -221.201183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.201183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.201183 (E_RNA)
where:
Base-Base interactions energy: -147.112
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.007
local terms energy: -74.082253
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -12.866
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: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -135.024332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.024332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.024332 (E_RNA)
where:
Base-Base interactions energy: -75.082
where: short stacking energy: -48.909
Base-Backbone interact. energy: -1.057
local terms energy: -58.885620
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -13.335
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: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -194.733016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.733016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.733016 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.000
local terms energy: -63.110686
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -87.996716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.996716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.996716 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.269
local terms energy: -57.955051
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -86.316430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.316430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.316430 (E_RNA)
where:
Base-Base interactions energy: -30.235
where: short stacking energy: -25.598
Base-Backbone interact. energy: -0.169
local terms energy: -55.913215
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.949
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: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -92.663732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663732 (E_RNA)
where:
Base-Base interactions energy: -44.033
where: short stacking energy: -22.872
Base-Backbone interact. energy: -0.435
local terms energy: -48.195902
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: 3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -76.224633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.224633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.224633 (E_RNA)
where:
Base-Base interactions energy: -25.335
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.309
local terms energy: -50.580940
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.830
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: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -238.607649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.607649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.607649 (E_RNA)
where:
Base-Base interactions energy: -159.732
where: short stacking energy: -77.616
Base-Backbone interact. energy: -0.001
local terms energy: -78.874145
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.916
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: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -209.877831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.877831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.877831 (E_RNA)
where:
Base-Base interactions energy: -133.038
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.008
local terms energy: -76.832000
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -218.097624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097624 (E_RNA)
where:
Base-Base interactions energy: -135.207
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.001
local terms energy: -82.889606
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -202.113731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.113731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.113731 (E_RNA)
where:
Base-Base interactions energy: -133.426
where: short stacking energy: -64.766
Base-Backbone interact. energy: 0.270
local terms energy: -68.957819
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -18.869
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: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -199.856432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.856432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.856432 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -58.490
Base-Backbone interact. energy: -0.006
local terms energy: -71.859779
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -113.195449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.195449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.195449 (E_RNA)
where:
Base-Base interactions energy: -64.604
where: short stacking energy: -36.879
Base-Backbone interact. energy: -0.097
local terms energy: -48.494776
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -84.850181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.850181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.850181 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.117
local terms energy: -53.766292
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -82.289208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289208 (E_RNA)
where:
Base-Base interactions energy: -29.579
where: short stacking energy: -28.030
Base-Backbone interact. energy: 0.112
local terms energy: -52.821489
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -11.160
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: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -77.647613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.647613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.647613 (E_RNA)
where:
Base-Base interactions energy: -29.987
where: short stacking energy: -20.244
Base-Backbone interact. energy: 0.407
local terms energy: -48.067264
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: 2.239
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: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -76.222737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.222737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.222737 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -29.540
Base-Backbone interact. energy: 1.358
local terms energy: -45.036817
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -238.958822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.958822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.958822 (E_RNA)
where:
Base-Base interactions energy: -158.843
where: short stacking energy: -70.910
Base-Backbone interact. energy: -0.044
local terms energy: -80.071542
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.102
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: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -234.565157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.565157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.565157 (E_RNA)
where:
Base-Base interactions energy: -153.555
where: short stacking energy: -71.219
Base-Backbone interact. energy: -0.000
local terms energy: -81.009986
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -210.768308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.768308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.768308 (E_RNA)
where:
Base-Base interactions energy: -131.109
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.210
local terms energy: -79.449606
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -198.156013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.156013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.156013 (E_RNA)
where:
Base-Base interactions energy: -128.483
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.241
local terms energy: -69.431618
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -15.304
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: 373
Temperature: 1.100000
Total energy: -194.042754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.042754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.042754 (E_RNA)
where:
Base-Base interactions energy: -129.244
where: short stacking energy: -67.657
Base-Backbone interact. energy: -0.029
local terms energy: -64.769306
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -97.101523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.101523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.101523 (E_RNA)
where:
Base-Base interactions energy: -40.727
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.040
local terms energy: -56.334460
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -101.132986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132986 (E_RNA)
where:
Base-Base interactions energy: -43.308
where: short stacking energy: -33.717
Base-Backbone interact. energy: 0.810
local terms energy: -58.635422
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -87.243333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.243333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.243333 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.260
local terms energy: -44.979589
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -78.954963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.954963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.954963 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.280
local terms energy: -42.507005
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -75.736560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.736560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.736560 (E_RNA)
where:
Base-Base interactions energy: -25.298
where: short stacking energy: -25.298
Base-Backbone interact. energy: -0.246
local terms energy: -50.191866
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -6.322
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: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -239.241881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.241881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.241881 (E_RNA)
where:
Base-Base interactions energy: -159.892
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.001
local terms energy: -79.349417
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -233.824242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.824242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.824242 (E_RNA)
where:
Base-Base interactions energy: -151.761
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.003
local terms energy: -82.060222
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -197.139207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.139207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.139207 (E_RNA)
where:
Base-Base interactions energy: -125.592
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.183
local terms energy: -71.364756
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -10.146
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: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -210.866892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.866892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.866892 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.214
local terms energy: -66.779349
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -186.808894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.808894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.808894 (E_RNA)
where:
Base-Base interactions energy: -120.336
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.154
local terms energy: -66.318948
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -89.239114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.239114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.239114 (E_RNA)
where:
Base-Base interactions energy: -46.307
where: short stacking energy: -38.463
Base-Backbone interact. energy: -0.094
local terms energy: -42.838380
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -3.233
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -84.507639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.507639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.507639 (E_RNA)
where:
Base-Base interactions energy: -35.434
where: short stacking energy: -29.180
Base-Backbone interact. energy: -0.136
local terms energy: -48.937734
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -2.592
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: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -97.219372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219372 (E_RNA)
where:
Base-Base interactions energy: -46.833
where: short stacking energy: -43.767
Base-Backbone interact. energy: 3.327
local terms energy: -53.713593
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -6.939
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: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -84.231896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.231896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.231896 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -24.802
Base-Backbone interact. energy: -1.016
local terms energy: -44.191142
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -72.479682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.479682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.479682 (E_RNA)
where:
Base-Base interactions energy: -29.768
where: short stacking energy: -29.768
Base-Backbone interact. energy: -0.049
local terms energy: -42.662936
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -2.238
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -239.189948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.189948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.189948 (E_RNA)
where:
Base-Base interactions energy: -158.726
where: short stacking energy: -73.133
Base-Backbone interact. energy: -0.152
local terms energy: -80.312107
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -21.905
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: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -211.854791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.854791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.854791 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.011
local terms energy: -69.735796
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -227.608987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.608987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.608987 (E_RNA)
where:
Base-Base interactions energy: -152.252
where: short stacking energy: -74.996
Base-Backbone interact. energy: -0.280
local terms energy: -75.076648
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -198.850476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.850476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.850476 (E_RNA)
where:
Base-Base interactions energy: -124.528
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.242
local terms energy: -74.080367
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -205.981634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.981634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.981634 (E_RNA)
where:
Base-Base interactions energy: -134.793
where: short stacking energy: -70.848
Base-Backbone interact. energy: -0.001
local terms energy: -71.187830
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -98.789842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.789842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.789842 (E_RNA)
where:
Base-Base interactions energy: -46.966
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.490
local terms energy: -51.334037
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.643
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: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -83.794781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.794781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.794781 (E_RNA)
where:
Base-Base interactions energy: -38.527
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.051
local terms energy: -45.217146
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -8.888
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: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -113.132142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.132142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.132142 (E_RNA)
where:
Base-Base interactions energy: -53.024
where: short stacking energy: -30.958
Base-Backbone interact. energy: -0.786
local terms energy: -59.321729
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -6.892
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: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -79.699418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.699418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.699418 (E_RNA)
where:
Base-Base interactions energy: -29.556
where: short stacking energy: -29.556
Base-Backbone interact. energy: -0.111
local terms energy: -50.032526
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.301
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: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -84.385092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.385092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.385092 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.067
local terms energy: -50.166074
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -5.079
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: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -236.529315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.529315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.529315 (E_RNA)
where:
Base-Base interactions energy: -156.623
where: short stacking energy: -72.334
Base-Backbone interact. energy: -1.059
local terms energy: -78.846907
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -10.722
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: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -210.349678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.349678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.349678 (E_RNA)
where:
Base-Base interactions energy: -136.964
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.014
local terms energy: -73.371324
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -221.904006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.904006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.904006 (E_RNA)
where:
Base-Base interactions energy: -150.660
where: short stacking energy: -71.675
Base-Backbone interact. energy: -0.093
local terms energy: -71.151489
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -21.620
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: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -180.462842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.462842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.462842 (E_RNA)
where:
Base-Base interactions energy: -108.691
where: short stacking energy: -53.672
Base-Backbone interact. energy: 0.204
local terms energy: -71.975916
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -213.342139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.342139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.342139 (E_RNA)
where:
Base-Base interactions energy: -142.950
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.082
local terms energy: -70.309523
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -104.239234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.239234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.239234 (E_RNA)
where:
Base-Base interactions energy: -45.691
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.135
local terms energy: -58.412907
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -126.820220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.820220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.820220 (E_RNA)
where:
Base-Base interactions energy: -75.416
where: short stacking energy: -38.055
Base-Backbone interact. energy: -0.450
local terms energy: -50.953732
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -5.645
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: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -75.608596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.608596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.608596 (E_RNA)
where:
Base-Base interactions energy: -29.315
where: short stacking energy: -25.206
Base-Backbone interact. energy: -0.046
local terms energy: -46.247003
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -75.854911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.854911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.854911 (E_RNA)
where:
Base-Base interactions energy: -30.091
where: short stacking energy: -26.065
Base-Backbone interact. energy: -0.201
local terms energy: -45.562434
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -1.093
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: 376
Temperature: 1.350000
Total energy: -70.125100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.125100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.125100 (E_RNA)
where:
Base-Base interactions energy: -21.138
where: short stacking energy: -20.687
Base-Backbone interact. energy: -0.060
local terms energy: -48.927086
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -233.407612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.407612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.407612 (E_RNA)
where:
Base-Base interactions energy: -156.313
where: short stacking energy: -74.364
Base-Backbone interact. energy: -0.005
local terms energy: -77.089883
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -232.541304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.541304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.541304 (E_RNA)
where:
Base-Base interactions energy: -155.476
where: short stacking energy: -70.868
Base-Backbone interact. energy: -0.607
local terms energy: -76.458157
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -209.597545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.597545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.597545 (E_RNA)
where:
Base-Base interactions energy: -131.097
where: short stacking energy: -66.202
Base-Backbone interact. energy: -0.001
local terms energy: -78.499109
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -11.933
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: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -216.655175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.655175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.655175 (E_RNA)
where:
Base-Base interactions energy: -150.012
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.013
local terms energy: -66.630435
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -179.061438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.061438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.061438 (E_RNA)
where:
Base-Base interactions energy: -110.800
where: short stacking energy: -49.929
Base-Backbone interact. energy: -0.009
local terms energy: -68.252541
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -12.862
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: 377
Temperature: 1.150000
Total energy: -138.488470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.488470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.488470 (E_RNA)
where:
Base-Base interactions energy: -81.185
where: short stacking energy: -47.305
Base-Backbone interact. energy: -0.576
local terms energy: -56.727730
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -2.587
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -121.324155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.324155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.324155 (E_RNA)
where:
Base-Base interactions energy: -60.875
where: short stacking energy: -28.598
Base-Backbone interact. energy: 0.262
local terms energy: -60.711737
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -77.881603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.881603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.881603 (E_RNA)
where:
Base-Base interactions energy: -21.499
where: short stacking energy: -17.464
Base-Backbone interact. energy: -0.231
local terms energy: -56.151696
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -83.800765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800765 (E_RNA)
where:
Base-Base interactions energy: -24.751
where: short stacking energy: -24.251
Base-Backbone interact. energy: -0.088
local terms energy: -58.961616
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -80.066259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.066259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.066259 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -25.340
Base-Backbone interact. energy: -0.127
local terms energy: -53.176352
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -236.848557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.848557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.848557 (E_RNA)
where:
Base-Base interactions energy: -156.039
where: short stacking energy: -77.628
Base-Backbone interact. energy: -0.518
local terms energy: -80.292203
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -227.518023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.518023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.518023 (E_RNA)
where:
Base-Base interactions energy: -150.973
where: short stacking energy: -72.949
Base-Backbone interact. energy: -0.001
local terms energy: -76.543990
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -207.797588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.797588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.797588 (E_RNA)
where:
Base-Base interactions energy: -133.727
where: short stacking energy: -66.040
Base-Backbone interact. energy: 1.495
local terms energy: -75.566522
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -202.487857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.487857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.487857 (E_RNA)
where:
Base-Base interactions energy: -136.478
where: short stacking energy: -62.249
Base-Backbone interact. energy: 1.709
local terms energy: -67.718556
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -10.981
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: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -174.673978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.673978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.673978 (E_RNA)
where:
Base-Base interactions energy: -107.853
where: short stacking energy: -48.619
Base-Backbone interact. energy: -0.671
local terms energy: -66.150570
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -142.201500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.201500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.201500 (E_RNA)
where:
Base-Base interactions energy: -82.878
where: short stacking energy: -42.963
Base-Backbone interact. energy: 1.162
local terms energy: -60.485811
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -110.709378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.709378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.709378 (E_RNA)
where:
Base-Base interactions energy: -64.471
where: short stacking energy: -44.384
Base-Backbone interact. energy: -0.293
local terms energy: -45.945430
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -8.511
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -96.820054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.820054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.820054 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.155
local terms energy: -48.037949
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -2.111
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: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -86.539960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.539960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.539960 (E_RNA)
where:
Base-Base interactions energy: -35.438
where: short stacking energy: -35.438
Base-Backbone interact. energy: -0.001
local terms energy: -51.100569
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -8.275
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -9.509
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: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -82.154068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.154068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.154068 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.258
local terms energy: -43.383152
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: 2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -226.758230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.758230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.758230 (E_RNA)
where:
Base-Base interactions energy: -148.679
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.005
local terms energy: -78.074646
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -8.811
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: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -231.576066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.576066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.576066 (E_RNA)
where:
Base-Base interactions energy: -157.183
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.442
local terms energy: -73.950626
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -229.443782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.443782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.443782 (E_RNA)
where:
Base-Base interactions energy: -152.759
where: short stacking energy: -68.712
Base-Backbone interact. energy: -0.004
local terms energy: -76.681711
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.585
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: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -203.089425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.089425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.089425 (E_RNA)
where:
Base-Base interactions energy: -131.643
where: short stacking energy: -66.138
Base-Backbone interact. energy: -0.363
local terms energy: -71.083357
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -191.291797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.291797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.291797 (E_RNA)
where:
Base-Base interactions energy: -117.478
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.348
local terms energy: -73.465229
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -83.192577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.192577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.192577 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.299
local terms energy: -46.045916
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -116.989934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.989934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.989934 (E_RNA)
where:
Base-Base interactions energy: -65.442
where: short stacking energy: -31.114
Base-Backbone interact. energy: -0.561
local terms energy: -50.986792
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -85.024320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.024320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.024320 (E_RNA)
where:
Base-Base interactions energy: -32.216
where: short stacking energy: -19.670
Base-Backbone interact. energy: -0.125
local terms energy: -52.683480
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -0.197
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: 379
Temperature: 1.300000
Total energy: -79.405235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.405235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.405235 (E_RNA)
where:
Base-Base interactions energy: -24.510
where: short stacking energy: -24.510
Base-Backbone interact. energy: -0.076
local terms energy: -54.819094
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -81.875842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.875842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.875842 (E_RNA)
where:
Base-Base interactions energy: -37.037
where: short stacking energy: -25.683
Base-Backbone interact. energy: 0.966
local terms energy: -45.805111
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -236.726873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.726873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.726873 (E_RNA)
where:
Base-Base interactions energy: -150.689
where: short stacking energy: -70.465
Base-Backbone interact. energy: -0.006
local terms energy: -86.031679
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -229.347945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.347945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.347945 (E_RNA)
where:
Base-Base interactions energy: -149.470
where: short stacking energy: -75.195
Base-Backbone interact. energy: -0.011
local terms energy: -79.866931
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -20.813
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: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -209.083267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.083267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.083267 (E_RNA)
where:
Base-Base interactions energy: -135.469
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.251
local terms energy: -73.363470
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -212.210234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.210234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.210234 (E_RNA)
where:
Base-Base interactions energy: -132.948
where: short stacking energy: -72.371
Base-Backbone interact. energy: -0.306
local terms energy: -78.956375
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -20.222
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -190.835989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.835989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.835989 (E_RNA)
where:
Base-Base interactions energy: -120.083
where: short stacking energy: -50.875
Base-Backbone interact. energy: -0.191
local terms energy: -70.561754
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -13.827
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: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -89.678702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.678702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.678702 (E_RNA)
where:
Base-Base interactions energy: -34.651
where: short stacking energy: -34.651
Base-Backbone interact. energy: -0.007
local terms energy: -55.020817
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -101.106098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.106098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.106098 (E_RNA)
where:
Base-Base interactions energy: -42.773
where: short stacking energy: -42.773
Base-Backbone interact. energy: -0.021
local terms energy: -58.311947
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -99.640682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.640682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.640682 (E_RNA)
where:
Base-Base interactions energy: -48.434
where: short stacking energy: -25.239
Base-Backbone interact. energy: -0.660
local terms energy: -50.546407
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: 2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -88.594729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.594729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.594729 (E_RNA)
where:
Base-Base interactions energy: -38.485
where: short stacking energy: -38.485
Base-Backbone interact. energy: -0.115
local terms energy: -49.994664
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -77.449247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.449247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.449247 (E_RNA)
where:
Base-Base interactions energy: -20.507
where: short stacking energy: -18.940
Base-Backbone interact. energy: -0.101
local terms energy: -56.840731
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -237.900000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.900000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.900000 (E_RNA)
where:
Base-Base interactions energy: -153.584
where: short stacking energy: -75.356
Base-Backbone interact. energy: -0.002
local terms energy: -84.314622
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -22.162
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: 381
Temperature: 0.950000
Total energy: -229.403877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.403877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.403877 (E_RNA)
where:
Base-Base interactions energy: -148.663
where: short stacking energy: -72.908
Base-Backbone interact. energy: -0.024
local terms energy: -80.717304
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -13.233
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: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -220.614268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.614268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.614268 (E_RNA)
where:
Base-Base interactions energy: -146.230
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.253
local terms energy: -74.131197
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -209.979782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.979782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.979782 (E_RNA)
where:
Base-Base interactions energy: -132.669
where: short stacking energy: -67.112
Base-Backbone interact. energy: -0.017
local terms energy: -77.293908
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.960
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: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -189.092654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.092654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.092654 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.093
local terms energy: -71.849768
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -90.432947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.432947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.432947 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -31.243
Base-Backbone interact. energy: -0.138
local terms energy: -54.702229
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -3.315
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -88.354625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.354625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.354625 (E_RNA)
where:
Base-Base interactions energy: -22.027
where: short stacking energy: -21.587
Base-Backbone interact. energy: -0.081
local terms energy: -66.246485
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -119.505113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.505113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.505113 (E_RNA)
where:
Base-Base interactions energy: -70.859
where: short stacking energy: -37.741
Base-Backbone interact. energy: -0.135
local terms energy: -48.511122
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -92.145679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.145679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.145679 (E_RNA)
where:
Base-Base interactions energy: -42.670
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.110
local terms energy: -49.365575
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -91.114586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.114586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.114586 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -37.614
Base-Backbone interact. energy: -0.087
local terms energy: -52.787532
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -5.841
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: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -240.567958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.567958 (E_RNA)
where:
Base-Base interactions energy: -158.712
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.005
local terms energy: -81.850873
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -230.003449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.003449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.003449 (E_RNA)
where:
Base-Base interactions energy: -151.441
where: short stacking energy: -72.364
Base-Backbone interact. energy: -0.002
local terms energy: -78.560827
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -204.142005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.142005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.142005 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -71.274
Base-Backbone interact. energy: -0.046
local terms energy: -69.377161
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -18.641
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: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -212.156263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.156263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.156263 (E_RNA)
where:
Base-Base interactions energy: -139.305
where: short stacking energy: -67.339
Base-Backbone interact. energy: -0.009
local terms energy: -72.842400
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -209.379684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.379684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.379684 (E_RNA)
where:
Base-Base interactions energy: -132.325
where: short stacking energy: -66.574
Base-Backbone interact. energy: 0.166
local terms energy: -77.220692
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -94.244430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.244430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.244430 (E_RNA)
where:
Base-Base interactions energy: -32.187
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.367
local terms energy: -61.691030
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -105.816703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.816703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.816703 (E_RNA)
where:
Base-Base interactions energy: -51.961
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.351
local terms energy: -53.504106
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -5.549
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: 382
Temperature: 1.250000
Total energy: -86.051796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.051796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.051796 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.012
local terms energy: -55.863064
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -103.160800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.160800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.160800 (E_RNA)
where:
Base-Base interactions energy: -49.789
where: short stacking energy: -28.602
Base-Backbone interact. energy: -0.149
local terms energy: -53.223114
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -81.369509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.369509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.369509 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -31.681
Base-Backbone interact. energy: -0.611
local terms energy: -44.423483
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -3.229
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: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -240.540007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.540007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.540007 (E_RNA)
where:
Base-Base interactions energy: -153.697
where: short stacking energy: -73.201
Base-Backbone interact. energy: -0.002
local terms energy: -86.840186
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -207.267587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.267587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.267587 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.004
local terms energy: -75.270691
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -227.664318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.664318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.664318 (E_RNA)
where:
Base-Base interactions energy: -153.361
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.135
local terms energy: -74.167742
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -224.740810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.740810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.740810 (E_RNA)
where:
Base-Base interactions energy: -154.722
where: short stacking energy: -77.124
Base-Backbone interact. energy: -0.182
local terms energy: -69.837760
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -6.759
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: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -193.495092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.495092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.495092 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -57.209
Base-Backbone interact. energy: -0.274
local terms energy: -71.235744
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -98.695751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.695751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.695751 (E_RNA)
where:
Base-Base interactions energy: -42.413
where: short stacking energy: -42.413
Base-Backbone interact. energy: 1.638
local terms energy: -57.920617
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -87.571160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.571160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.571160 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -29.200
Base-Backbone interact. energy: -0.043
local terms energy: -52.974402
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -77.183716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.183716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.183716 (E_RNA)
where:
Base-Base interactions energy: -27.251
where: short stacking energy: -25.984
Base-Backbone interact. energy: -0.158
local terms energy: -49.774252
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -74.427354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427354 (E_RNA)
where:
Base-Base interactions energy: -28.514
where: short stacking energy: -16.255
Base-Backbone interact. energy: -0.205
local terms energy: -45.708039
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -4.718
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -76.832835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.832835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.832835 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -29.785
Base-Backbone interact. energy: -0.007
local terms energy: -45.821924
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -7.817
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -237.787324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.787324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.787324 (E_RNA)
where:
Base-Base interactions energy: -154.350
where: short stacking energy: -73.308
Base-Backbone interact. energy: -0.002
local terms energy: -83.435167
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.520
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: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -198.694343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.694343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.694343 (E_RNA)
where:
Base-Base interactions energy: -131.810
where: short stacking energy: -61.211
Base-Backbone interact. energy: -0.181
local terms energy: -66.702789
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -221.267024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.267024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.267024 (E_RNA)
where:
Base-Base interactions energy: -147.847
where: short stacking energy: -71.276
Base-Backbone interact. energy: -0.004
local terms energy: -73.415919
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -196.938061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.938061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.938061 (E_RNA)
where:
Base-Base interactions energy: -120.449
where: short stacking energy: -57.810
Base-Backbone interact. energy: -0.756
local terms energy: -75.732821
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.177
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: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -174.370655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.370655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.370655 (E_RNA)
where:
Base-Base interactions energy: -102.839
where: short stacking energy: -47.106
Base-Backbone interact. energy: -0.070
local terms energy: -71.461685
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -101.614371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.614371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.614371 (E_RNA)
where:
Base-Base interactions energy: -49.968
where: short stacking energy: -22.766
Base-Backbone interact. energy: -0.714
local terms energy: -50.932374
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -0.525
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: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -83.535601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.535601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.535601 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -21.742
Base-Backbone interact. energy: -0.383
local terms energy: -49.634245
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -5.791
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: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -86.647486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.647486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.647486 (E_RNA)
where:
Base-Base interactions energy: -27.963
where: short stacking energy: -27.963
Base-Backbone interact. energy: -0.080
local terms energy: -58.604560
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -3.839
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: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -87.873015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.873015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.873015 (E_RNA)
where:
Base-Base interactions energy: -45.760
where: short stacking energy: -25.809
Base-Backbone interact. energy: -0.192
local terms energy: -41.920571
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -2.987
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: 0.418
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: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -72.162550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.162550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.162550 (E_RNA)
where:
Base-Base interactions energy: -35.046
where: short stacking energy: -14.669
Base-Backbone interact. energy: -0.141
local terms energy: -36.975487
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -3.486
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: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -226.789527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.789527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.789527 (E_RNA)
where:
Base-Base interactions energy: -147.435
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.684
local terms energy: -78.670485
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -22.675
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: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -226.247600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.247600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.247600 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.003
local terms energy: -84.762417
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -200.202770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.202770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.202770 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.022
local terms energy: -72.670822
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -20.329
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: 385
Temperature: 1.050000
Total energy: -192.496125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.496125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.496125 (E_RNA)
where:
Base-Base interactions energy: -122.824
where: short stacking energy: -59.454
Base-Backbone interact. energy: -1.405
local terms energy: -68.266722
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -199.366016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.366016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.366016 (E_RNA)
where:
Base-Base interactions energy: -131.374
where: short stacking energy: -62.632
Base-Backbone interact. energy: 0.478
local terms energy: -68.469379
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -98.611280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.611280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.611280 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -41.087
Base-Backbone interact. energy: -0.120
local terms energy: -56.517460
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -6.558
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: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -85.509248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509248 (E_RNA)
where:
Base-Base interactions energy: -24.119
where: short stacking energy: -23.446
Base-Backbone interact. energy: 0.589
local terms energy: -61.979280
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -81.286184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.286184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.286184 (E_RNA)
where:
Base-Base interactions energy: -19.532
where: short stacking energy: -19.532
Base-Backbone interact. energy: -0.238
local terms energy: -61.515940
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -75.200528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.200528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.200528 (E_RNA)
where:
Base-Base interactions energy: -30.723
where: short stacking energy: -30.723
Base-Backbone interact. energy: -0.078
local terms energy: -44.399320
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -81.442642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.442642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.442642 (E_RNA)
where:
Base-Base interactions energy: -27.702
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.119
local terms energy: -53.621714
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -229.934865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.934865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.934865 (E_RNA)
where:
Base-Base interactions energy: -146.756
where: short stacking energy: -77.200
Base-Backbone interact. energy: -0.033
local terms energy: -83.145442
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.871
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: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -230.108068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.108068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.108068 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.161
local terms energy: -79.610292
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -23.403
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: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -212.764855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.764855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.764855 (E_RNA)
where:
Base-Base interactions energy: -138.135
where: short stacking energy: -70.361
Base-Backbone interact. energy: -0.061
local terms energy: -74.569021
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -189.845846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.845846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.845846 (E_RNA)
where:
Base-Base interactions energy: -131.573
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.252
local terms energy: -58.020852
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -7.795
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: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -199.889739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.889739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.889739 (E_RNA)
where:
Base-Base interactions energy: -122.855
where: short stacking energy: -60.497
Base-Backbone interact. energy: -0.079
local terms energy: -76.955469
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -94.076462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.076462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.076462 (E_RNA)
where:
Base-Base interactions energy: -39.507
where: short stacking energy: -39.507
Base-Backbone interact. energy: -0.495
local terms energy: -54.074258
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -98.816059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.816059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.816059 (E_RNA)
where:
Base-Base interactions energy: -39.784
where: short stacking energy: -39.781
Base-Backbone interact. energy: -0.100
local terms energy: -58.932405
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -7.692
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: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -90.022591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.022591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.022591 (E_RNA)
where:
Base-Base interactions energy: -45.466
where: short stacking energy: -40.620
Base-Backbone interact. energy: 0.425
local terms energy: -44.981912
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -73.385608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.385608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.385608 (E_RNA)
where:
Base-Base interactions energy: -24.164
where: short stacking energy: -24.059
Base-Backbone interact. energy: -0.494
local terms energy: -48.727778
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -2.620
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: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -83.268398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268398 (E_RNA)
where:
Base-Base interactions energy: -34.732
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.306
local terms energy: -48.230344
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: 0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -238.741179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.741179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.741179 (E_RNA)
where:
Base-Base interactions energy: -159.933
where: short stacking energy: -74.357
Base-Backbone interact. energy: -0.281
local terms energy: -78.527829
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -22.093
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: 387
Temperature: 0.950000
Total energy: -223.834632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.834632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.834632 (E_RNA)
where:
Base-Base interactions energy: -154.461
where: short stacking energy: -64.157
Base-Backbone interact. energy: -0.107
local terms energy: -69.266653
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -17.646
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -227.943391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.943391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.943391 (E_RNA)
where:
Base-Base interactions energy: -154.144
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.039
local terms energy: -73.760312
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.913
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: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -203.185541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.185541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.185541 (E_RNA)
where:
Base-Base interactions energy: -131.628
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.239
local terms energy: -71.318267
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -12.361
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: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -186.192570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.192570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.192570 (E_RNA)
where:
Base-Base interactions energy: -112.265
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.002
local terms energy: -73.925625
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -99.803595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.803595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.803595 (E_RNA)
where:
Base-Base interactions energy: -41.637
where: short stacking energy: -40.408
Base-Backbone interact. energy: 1.104
local terms energy: -59.270884
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -96.302708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.302708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.302708 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -38.161
Base-Backbone interact. energy: -0.156
local terms energy: -56.207882
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -4.498
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: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -89.422836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.422836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.422836 (E_RNA)
where:
Base-Base interactions energy: -35.632
where: short stacking energy: -26.101
Base-Backbone interact. energy: -0.306
local terms energy: -53.484552
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: 1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -80.877989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.877989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.877989 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -25.553
Base-Backbone interact. energy: 0.387
local terms energy: -48.881380
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -74.740929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.740929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.740929 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -23.143
Base-Backbone interact. energy: -0.199
local terms energy: -47.979415
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: 3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -229.726971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.726971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.726971 (E_RNA)
where:
Base-Base interactions energy: -144.032
where: short stacking energy: -66.959
Base-Backbone interact. energy: -0.006
local terms energy: -85.688788
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -22.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -229.902524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.902524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.902524 (E_RNA)
where:
Base-Base interactions energy: -156.106
where: short stacking energy: -76.607
Base-Backbone interact. energy: 0.391
local terms energy: -74.187193
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -230.415215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.415215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.415215 (E_RNA)
where:
Base-Base interactions energy: -157.350
where: short stacking energy: -76.897
Base-Backbone interact. energy: -0.880
local terms energy: -72.185125
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -175.527136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.527136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.527136 (E_RNA)
where:
Base-Base interactions energy: -111.578
where: short stacking energy: -50.170
Base-Backbone interact. energy: -0.155
local terms energy: -63.793888
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -171.945194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.945194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.945194 (E_RNA)
where:
Base-Base interactions energy: -106.300
where: short stacking energy: -52.490
Base-Backbone interact. energy: -0.061
local terms energy: -65.584116
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -93.620043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620043 (E_RNA)
where:
Base-Base interactions energy: -40.669
where: short stacking energy: -33.000
Base-Backbone interact. energy: -0.415
local terms energy: -52.535933
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -84.833592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.833592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.833592 (E_RNA)
where:
Base-Base interactions energy: -27.435
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.123
local terms energy: -57.275762
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -1.467
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: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -86.831754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831754 (E_RNA)
where:
Base-Base interactions energy: -35.393
where: short stacking energy: -35.393
Base-Backbone interact. energy: -0.106
local terms energy: -51.333256
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -78.720736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.720736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.720736 (E_RNA)
where:
Base-Base interactions energy: -31.160
where: short stacking energy: -17.659
Base-Backbone interact. energy: -0.722
local terms energy: -46.838627
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: 4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -84.419506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.419506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.419506 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -17.801
Base-Backbone interact. energy: 2.729
local terms energy: -49.822575
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: 4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -237.246032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.246032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.246032 (E_RNA)
where:
Base-Base interactions energy: -158.861
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.008
local terms energy: -78.376456
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -21.555
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: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -239.140871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.140871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.140871 (E_RNA)
where:
Base-Base interactions energy: -157.630
where: short stacking energy: -77.458
Base-Backbone interact. energy: 0.668
local terms energy: -82.178774
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -12.624
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: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -224.329860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.329860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.329860 (E_RNA)
where:
Base-Base interactions energy: -148.057
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.001
local terms energy: -76.272116
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -180.876909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.876909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.876909 (E_RNA)
where:
Base-Base interactions energy: -111.926
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.002
local terms energy: -68.948952
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -176.649672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.649672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.649672 (E_RNA)
where:
Base-Base interactions energy: -110.433
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.237
local terms energy: -65.979821
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -95.370504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.370504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.370504 (E_RNA)
where:
Base-Base interactions energy: -40.570
where: short stacking energy: -33.047
Base-Backbone interact. energy: 0.033
local terms energy: -54.833893
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -82.583967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.583967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.583967 (E_RNA)
where:
Base-Base interactions energy: -27.974
where: short stacking energy: -24.216
Base-Backbone interact. energy: 0.086
local terms energy: -54.695276
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -1.529
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -81.085079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.085079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.085079 (E_RNA)
where:
Base-Base interactions energy: -24.434
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.153
local terms energy: -56.498018
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -74.116232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.116232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.116232 (E_RNA)
where:
Base-Base interactions energy: -14.839
where: short stacking energy: -14.839
Base-Backbone interact. energy: -0.006
local terms energy: -59.270970
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -81.855841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.855841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.855841 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -34.045
Base-Backbone interact. energy: -0.191
local terms energy: -47.619569
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -233.179245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.179245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.179245 (E_RNA)
where:
Base-Base interactions energy: -160.041
where: short stacking energy: -75.946
Base-Backbone interact. energy: 1.010
local terms energy: -74.148744
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -234.279213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.279213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.279213 (E_RNA)
where:
Base-Base interactions energy: -162.622
where: short stacking energy: -78.830
Base-Backbone interact. energy: -0.442
local terms energy: -71.214843
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -235.996180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.996180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.996180 (E_RNA)
where:
Base-Base interactions energy: -154.310
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.001
local terms energy: -81.685241
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -198.657732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.657732 (E_RNA)
where:
Base-Base interactions energy: -121.217
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.033
local terms energy: -77.407701
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -178.900965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.900965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.900965 (E_RNA)
where:
Base-Base interactions energy: -118.278
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.081
local terms energy: -60.542012
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -93.764076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.764076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.764076 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -26.051
Base-Backbone interact. energy: -0.513
local terms energy: -51.214980
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -2.169
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: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -90.952191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.952191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.952191 (E_RNA)
where:
Base-Base interactions energy: -35.200
where: short stacking energy: -35.200
Base-Backbone interact. energy: -0.291
local terms energy: -55.461892
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -8.571
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: 390
Temperature: 1.250000
Total energy: -92.588076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.588076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.588076 (E_RNA)
where:
Base-Base interactions energy: -39.732
where: short stacking energy: -31.463
Base-Backbone interact. energy: -0.566
local terms energy: -52.289732
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -78.973200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.973200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.973200 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.496
local terms energy: -52.975316
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -72.827225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.827225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.827225 (E_RNA)
where:
Base-Base interactions energy: -29.797
where: short stacking energy: -29.797
Base-Backbone interact. energy: -0.135
local terms energy: -42.894618
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -6.051
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -2.602
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: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -234.975974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.975974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.975974 (E_RNA)
where:
Base-Base interactions energy: -156.833
where: short stacking energy: -78.217
Base-Backbone interact. energy: -0.002
local terms energy: -78.140329
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -233.169441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.169441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.169441 (E_RNA)
where:
Base-Base interactions energy: -155.264
where: short stacking energy: -73.385
Base-Backbone interact. energy: -0.059
local terms energy: -77.846645
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -22.649
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: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -224.263286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.263286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.263286 (E_RNA)
where:
Base-Base interactions energy: -147.064
where: short stacking energy: -70.215
Base-Backbone interact. energy: -0.286
local terms energy: -76.912657
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -22.555
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: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -203.793075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.793075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.793075 (E_RNA)
where:
Base-Base interactions energy: -127.240
where: short stacking energy: -57.687
Base-Backbone interact. energy: -0.004
local terms energy: -76.549510
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -176.223873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.223873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.223873 (E_RNA)
where:
Base-Base interactions energy: -115.843
where: short stacking energy: -55.693
Base-Backbone interact. energy: -0.264
local terms energy: -60.117742
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -91.004968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.004968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.004968 (E_RNA)
where:
Base-Base interactions energy: -37.831
where: short stacking energy: -28.936
Base-Backbone interact. energy: -0.331
local terms energy: -52.842364
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -91.442397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.442397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.442397 (E_RNA)
where:
Base-Base interactions energy: -43.734
where: short stacking energy: -26.986
Base-Backbone interact. energy: -2.033
local terms energy: -45.675278
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -82.984871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984871 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -32.910
Base-Backbone interact. energy: 5.965
local terms energy: -56.039911
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -93.600961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.600961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.600961 (E_RNA)
where:
Base-Base interactions energy: -42.678
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.939
local terms energy: -49.983918
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -6.245
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: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -71.312407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.312407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.312407 (E_RNA)
where:
Base-Base interactions energy: -18.704
where: short stacking energy: -18.704
Base-Backbone interact. energy: -0.569
local terms energy: -52.039701
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -1.449
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -227.235737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.235737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.235737 (E_RNA)
where:
Base-Base interactions energy: -148.066
where: short stacking energy: -73.837
Base-Backbone interact. energy: -0.018
local terms energy: -79.151734
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -22.108
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: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -229.911253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911253 (E_RNA)
where:
Base-Base interactions energy: -151.008
where: short stacking energy: -69.777
Base-Backbone interact. energy: -1.111
local terms energy: -77.792076
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -206.292987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.292987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.292987 (E_RNA)
where:
Base-Base interactions energy: -133.454
where: short stacking energy: -69.543
Base-Backbone interact. energy: 0.546
local terms energy: -73.384943
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -17.940
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: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -224.300042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.300042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.300042 (E_RNA)
where:
Base-Base interactions energy: -155.001
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.063
local terms energy: -69.235419
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -182.265296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.265296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.265296 (E_RNA)
where:
Base-Base interactions energy: -120.874
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.124
local terms energy: -61.267007
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -90.404545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.404545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.404545 (E_RNA)
where:
Base-Base interactions energy: -27.437
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.032
local terms energy: -62.935540
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -12.188
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: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -91.630661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.630661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.630661 (E_RNA)
where:
Base-Base interactions energy: -39.308
where: short stacking energy: -39.308
Base-Backbone interact. energy: 0.768
local terms energy: -53.090084
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -3.722
tors. eta vs tors. theta energy: -9.766
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: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -98.255491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.255491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.255491 (E_RNA)
where:
Base-Base interactions energy: -37.506
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.196
local terms energy: -60.553781
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -89.761452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.761452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.761452 (E_RNA)
where:
Base-Base interactions energy: -42.774
where: short stacking energy: -41.427
Base-Backbone interact. energy: -0.081
local terms energy: -46.906892
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -85.878158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.878158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.878158 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -33.514
Base-Backbone interact. energy: 0.205
local terms energy: -51.501404
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -228.581357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.581357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.581357 (E_RNA)
where:
Base-Base interactions energy: -154.924
where: short stacking energy: -75.604
Base-Backbone interact. energy: -0.000
local terms energy: -73.656737
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -7.512
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: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -226.731302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.731302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.731302 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -73.413
Base-Backbone interact. energy: -0.216
local terms energy: -74.551046
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -185.259081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.259081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.259081 (E_RNA)
where:
Base-Base interactions energy: -115.683
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.002
local terms energy: -69.574559
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -196.509568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.509568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.509568 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.122
local terms energy: -68.041253
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -172.242658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.242658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.242658 (E_RNA)
where:
Base-Base interactions energy: -114.493
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.099
local terms energy: -57.650492
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -90.786441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.786441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.786441 (E_RNA)
where:
Base-Base interactions energy: -44.334
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.943
local terms energy: -45.509810
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -86.124607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124607 (E_RNA)
where:
Base-Base interactions energy: -25.760
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.125
local terms energy: -60.239720
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -12.021
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: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -95.086105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.086105 (E_RNA)
where:
Base-Base interactions energy: -37.618
where: short stacking energy: -37.618
Base-Backbone interact. energy: -0.092
local terms energy: -57.376081
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -11.559
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: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -93.064377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.064377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.064377 (E_RNA)
where:
Base-Base interactions energy: -37.831
where: short stacking energy: -37.611
Base-Backbone interact. energy: 0.094
local terms energy: -55.327328
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -71.084295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.084295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.084295 (E_RNA)
where:
Base-Base interactions energy: -16.755
where: short stacking energy: -16.699
Base-Backbone interact. energy: -0.022
local terms energy: -54.306864
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -2.976
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: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -238.556285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.556285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.556285 (E_RNA)
where:
Base-Base interactions energy: -160.376
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.102
local terms energy: -78.078005
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -231.712467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.712467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.712467 (E_RNA)
where:
Base-Base interactions energy: -151.689
where: short stacking energy: -71.571
Base-Backbone interact. energy: -0.000
local terms energy: -80.022866
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -22.056
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: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -199.887457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.887457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.887457 (E_RNA)
where:
Base-Base interactions energy: -137.697
where: short stacking energy: -52.413
Base-Backbone interact. energy: -0.948
local terms energy: -61.242724
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -199.268938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.268938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.268938 (E_RNA)
where:
Base-Base interactions energy: -127.635
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.013
local terms energy: -71.621105
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -18.430
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: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -174.842023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.842023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.842023 (E_RNA)
where:
Base-Base interactions energy: -111.274
where: short stacking energy: -51.636
Base-Backbone interact. energy: -0.016
local terms energy: -63.552147
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -105.955544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.955544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.955544 (E_RNA)
where:
Base-Base interactions energy: -47.234
where: short stacking energy: -31.962
Base-Backbone interact. energy: -0.248
local terms energy: -58.473308
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -86.940221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.940221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.940221 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -38.415
Base-Backbone interact. energy: -0.136
local terms energy: -47.878729
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -4.477
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: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -80.490595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.490595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.490595 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -31.246
Base-Backbone interact. energy: -0.134
local terms energy: -41.107971
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -82.437375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437375 (E_RNA)
where:
Base-Base interactions energy: -34.905
where: short stacking energy: -33.985
Base-Backbone interact. energy: -0.683
local terms energy: -46.849753
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -73.095772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.095772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.095772 (E_RNA)
where:
Base-Base interactions energy: -28.009
where: short stacking energy: -19.181
Base-Backbone interact. energy: -0.550
local terms energy: -44.536870
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -236.969324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.969324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.969324 (E_RNA)
where:
Base-Base interactions energy: -159.940
where: short stacking energy: -77.270
Base-Backbone interact. energy: 0.464
local terms energy: -77.493747
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -21.864
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: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -226.926831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.926831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.926831 (E_RNA)
where:
Base-Base interactions energy: -150.053
where: short stacking energy: -73.369
Base-Backbone interact. energy: -0.003
local terms energy: -76.870983
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -201.506479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.506479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.506479 (E_RNA)
where:
Base-Base interactions energy: -131.432
where: short stacking energy: -52.541
Base-Backbone interact. energy: -0.461
local terms energy: -69.613614
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -205.998245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.998245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.998245 (E_RNA)
where:
Base-Base interactions energy: -132.896
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.082
local terms energy: -73.019557
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -164.838347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.838347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.838347 (E_RNA)
where:
Base-Base interactions energy: -98.357
where: short stacking energy: -46.761
Base-Backbone interact. energy: -0.030
local terms energy: -66.451494
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -91.598288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.598288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.598288 (E_RNA)
where:
Base-Base interactions energy: -32.478
where: short stacking energy: -28.216
Base-Backbone interact. energy: -0.825
local terms energy: -58.294907
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -93.472859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.472859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.472859 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -23.747
Base-Backbone interact. energy: -0.099
local terms energy: -58.525703
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -73.479354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.479354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.479354 (E_RNA)
where:
Base-Base interactions energy: -32.397
where: short stacking energy: -32.397
Base-Backbone interact. energy: -0.186
local terms energy: -40.896256
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -76.242348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.242348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.242348 (E_RNA)
where:
Base-Base interactions energy: -37.734
where: short stacking energy: -21.748
Base-Backbone interact. energy: -0.365
local terms energy: -38.143503
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -3.045
flat angles P-C4'-P energy: -10.040
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: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -76.061679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.061679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.061679 (E_RNA)
where:
Base-Base interactions energy: -24.283
where: short stacking energy: -18.845
Base-Backbone interact. energy: -0.689
local terms energy: -51.088838
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -3.996
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: 396
Temperature: 0.900000
Total energy: -238.388505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.388505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.388505 (E_RNA)
where:
Base-Base interactions energy: -158.154
where: short stacking energy: -78.470
Base-Backbone interact. energy: -0.239
local terms energy: -79.995625
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -236.195383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.195383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.195383 (E_RNA)
where:
Base-Base interactions energy: -156.942
where: short stacking energy: -77.125
Base-Backbone interact. energy: -0.024
local terms energy: -79.230127
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -10.920
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: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -218.951602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.951602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.951602 (E_RNA)
where:
Base-Base interactions energy: -150.253
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.107
local terms energy: -68.591790
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -185.997988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.997988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.997988 (E_RNA)
where:
Base-Base interactions energy: -117.230
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.111
local terms energy: -68.657115
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -13.645
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: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -170.703428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.703428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.703428 (E_RNA)
where:
Base-Base interactions energy: -104.485
where: short stacking energy: -53.651
Base-Backbone interact. energy: -1.657
local terms energy: -64.560435
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -108.433798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.433798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.433798 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -25.514
Base-Backbone interact. energy: -0.346
local terms energy: -62.825837
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -87.103814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.103814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.103814 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -37.490
Base-Backbone interact. energy: 0.530
local terms energy: -50.144006
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -10.061
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -89.541419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.541419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.541419 (E_RNA)
where:
Base-Base interactions energy: -34.090
where: short stacking energy: -34.090
Base-Backbone interact. energy: -0.016
local terms energy: -55.434915
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -86.037092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.037092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.037092 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -34.630
Base-Backbone interact. energy: -0.058
local terms energy: -51.348780
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -69.319021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.319021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.319021 (E_RNA)
where:
Base-Base interactions energy: -18.969
where: short stacking energy: -18.394
Base-Backbone interact. energy: -0.021
local terms energy: -50.328122
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -1.249
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: 397
Temperature: 0.900000
Total energy: -233.978076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.978076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.978076 (E_RNA)
where:
Base-Base interactions energy: -159.720
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.408
local terms energy: -73.850330
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -8.175
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: 397
Temperature: 0.950000
Total energy: -212.237302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.237302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.237302 (E_RNA)
where:
Base-Base interactions energy: -132.028
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.015
local terms energy: -80.194930
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -226.679768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.679768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.679768 (E_RNA)
where:
Base-Base interactions energy: -150.156
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.001
local terms energy: -76.523365
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -186.781326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.781326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.781326 (E_RNA)
where:
Base-Base interactions energy: -117.650
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.061
local terms energy: -69.070353
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -187.754643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.754643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.754643 (E_RNA)
where:
Base-Base interactions energy: -131.610
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.026
local terms energy: -56.118540
where:
bonds (distance) C4'-P energy: -1.460
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -103.335833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.335833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.335833 (E_RNA)
where:
Base-Base interactions energy: -48.475
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.137
local terms energy: -54.723471
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -92.332253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.332253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.332253 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -38.684
Base-Backbone interact. energy: -0.058
local terms energy: -53.589680
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -81.742918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.742918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.742918 (E_RNA)
where:
Base-Base interactions energy: -32.946
where: short stacking energy: -28.429
Base-Backbone interact. energy: 2.537
local terms energy: -51.333974
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -10.291
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: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -76.734855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.734855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.734855 (E_RNA)
where:
Base-Base interactions energy: -31.946
where: short stacking energy: -22.461
Base-Backbone interact. energy: -0.203
local terms energy: -44.585514
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -73.396551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.396551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.396551 (E_RNA)
where:
Base-Base interactions energy: -30.464
where: short stacking energy: -16.345
Base-Backbone interact. energy: -0.290
local terms energy: -42.643160
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -4.959
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -230.735496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.735496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.735496 (E_RNA)
where:
Base-Base interactions energy: -159.916
where: short stacking energy: -78.263
Base-Backbone interact. energy: -0.002
local terms energy: -70.817113
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -208.023624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.023624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.023624 (E_RNA)
where:
Base-Base interactions energy: -131.852
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.426
local terms energy: -75.745458
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -15.042
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: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -236.513746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.513746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.513746 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.571
local terms energy: -77.490394
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -8.356
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: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -201.985239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.985239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.985239 (E_RNA)
where:
Base-Base interactions energy: -131.055
where: short stacking energy: -62.146
Base-Backbone interact. energy: 0.303
local terms energy: -71.233520
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.865
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: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -182.436455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.436455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.436455 (E_RNA)
where:
Base-Base interactions energy: -110.013
where: short stacking energy: -55.354
Base-Backbone interact. energy: -0.015
local terms energy: -72.408859
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -96.139793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.139793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.139793 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -37.747
Base-Backbone interact. energy: 0.370
local terms energy: -58.762006
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -115.067898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.067898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.067898 (E_RNA)
where:
Base-Base interactions energy: -66.294
where: short stacking energy: -37.019
Base-Backbone interact. energy: -0.620
local terms energy: -48.153869
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -86.630502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.630502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.630502 (E_RNA)
where:
Base-Base interactions energy: -25.753
where: short stacking energy: -25.753
Base-Backbone interact. energy: 1.437
local terms energy: -62.314458
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -84.891567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.891567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.891567 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.105
local terms energy: -54.339184
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -78.561158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.561158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.561158 (E_RNA)
where:
Base-Base interactions energy: -23.213
where: short stacking energy: -23.213
Base-Backbone interact. energy: -0.290
local terms energy: -55.058537
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -228.536284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.536284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.536284 (E_RNA)
where:
Base-Base interactions energy: -155.291
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.123
local terms energy: -73.123077
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -229.262905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.262905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.262905 (E_RNA)
where:
Base-Base interactions energy: -153.193
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.018
local terms energy: -76.051518
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -21.995
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: 399
Temperature: 1.000000
Total energy: -215.097138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.097138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.097138 (E_RNA)
where:
Base-Base interactions energy: -136.636
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.008
local terms energy: -78.453386
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -21.831
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: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -212.545617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.545617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.545617 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -60.795
Base-Backbone interact. energy: 0.583
local terms energy: -73.982115
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -9.591
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: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -184.828374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.828374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.828374 (E_RNA)
where:
Base-Base interactions energy: -119.418
where: short stacking energy: -65.768
Base-Backbone interact. energy: -0.083
local terms energy: -65.328045
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -113.749156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.749156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.749156 (E_RNA)
where:
Base-Base interactions energy: -55.676
where: short stacking energy: -30.089
Base-Backbone interact. energy: -0.218
local terms energy: -57.855137
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -9.319
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: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -100.760367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.760367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.760367 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -40.294
Base-Backbone interact. energy: -0.016
local terms energy: -60.450807
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -86.797857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.797857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.797857 (E_RNA)
where:
Base-Base interactions energy: -30.975
where: short stacking energy: -14.766
Base-Backbone interact. energy: 1.156
local terms energy: -56.978818
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.911
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: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -77.281029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.281029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.281029 (E_RNA)
where:
Base-Base interactions energy: -22.382
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.314
local terms energy: -54.585049
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -81.363836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.363836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.363836 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -29.114
Base-Backbone interact. energy: -0.044
local terms energy: -46.633727
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -234.045317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.045317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.045317 (E_RNA)
where:
Base-Base interactions energy: -153.286
where: short stacking energy: -74.801
Base-Backbone interact. energy: -0.001
local terms energy: -80.758263
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -233.000783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.000783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.000783 (E_RNA)
where:
Base-Base interactions energy: -150.537
where: short stacking energy: -69.621
Base-Backbone interact. energy: -0.000
local terms energy: -82.463375
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -206.046704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.046704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.046704 (E_RNA)
where:
Base-Base interactions energy: -129.212
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.077
local terms energy: -76.757747
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -21.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -200.121367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.121367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.121367 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.204
local terms energy: -71.566758
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -182.649490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.649490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.649490 (E_RNA)
where:
Base-Base interactions energy: -126.182
where: short stacking energy: -56.962
Base-Backbone interact. energy: -0.130
local terms energy: -56.337454
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -122.229303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.229303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.229303 (E_RNA)
where:
Base-Base interactions energy: -65.206
where: short stacking energy: -34.947
Base-Backbone interact. energy: -0.142
local terms energy: -56.881467
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -93.076337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.076337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.076337 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -25.413
Base-Backbone interact. energy: -0.215
local terms energy: -58.444249
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -0.332
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: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -82.263413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.263413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.263413 (E_RNA)
where:
Base-Base interactions energy: -27.294
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.151
local terms energy: -54.818871
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -9.300
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: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -80.645481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.645481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.645481 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -34.382
Base-Backbone interact. energy: -0.348
local terms energy: -41.532321
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -6.536
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -78.518083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518083 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -21.615
Base-Backbone interact. energy: 0.059
local terms energy: -44.497266
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -236.777526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.777526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.777526 (E_RNA)
where:
Base-Base interactions energy: -160.056
where: short stacking energy: -73.612
Base-Backbone interact. energy: -0.012
local terms energy: -76.709320
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -17.812
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: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -209.759949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.759949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.759949 (E_RNA)
where:
Base-Base interactions energy: -133.678
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.012
local terms energy: -76.069791
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -221.567839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.567839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.567839 (E_RNA)
where:
Base-Base interactions energy: -156.385
where: short stacking energy: -75.580
Base-Backbone interact. energy: -0.001
local terms energy: -65.181692
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -202.364141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.364141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.364141 (E_RNA)
where:
Base-Base interactions energy: -128.623
where: short stacking energy: -63.108
Base-Backbone interact. energy: -1.215
local terms energy: -72.525818
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -10.064
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: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -168.691264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.691264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.691264 (E_RNA)
where:
Base-Base interactions energy: -103.807
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.095
local terms energy: -64.788901
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -121.841057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.841057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.841057 (E_RNA)
where:
Base-Base interactions energy: -68.063
where: short stacking energy: -35.015
Base-Backbone interact. energy: 0.002
local terms energy: -53.779979
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -8.687
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: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -83.669732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669732 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -31.072
Base-Backbone interact. energy: -0.350
local terms energy: -51.440077
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -4.657
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: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -83.352595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352595 (E_RNA)
where:
Base-Base interactions energy: -39.944
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.193
local terms energy: -43.215828
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -87.924434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924434 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.031
local terms energy: -53.490375
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -75.287649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.287649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.287649 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -21.533
Base-Backbone interact. energy: -0.456
local terms energy: -50.030676
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -230.687864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.687864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.687864 (E_RNA)
where:
Base-Base interactions energy: -153.245
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.002
local terms energy: -77.440892
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -208.411851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.411851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.411851 (E_RNA)
where:
Base-Base interactions energy: -132.235
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.061
local terms energy: -76.115765
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -231.429509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.429509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.429509 (E_RNA)
where:
Base-Base interactions energy: -150.797
where: short stacking energy: -71.385
Base-Backbone interact. energy: -0.066
local terms energy: -80.566993
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -172.805587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.805587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.805587 (E_RNA)
where:
Base-Base interactions energy: -116.796
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.509
local terms energy: -55.499687
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -157.983808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.983808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.983808 (E_RNA)
where:
Base-Base interactions energy: -91.178
where: short stacking energy: -52.377
Base-Backbone interact. energy: -0.129
local terms energy: -66.677512
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -167.407100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.407100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.407100 (E_RNA)
where:
Base-Base interactions energy: -103.714
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.366
local terms energy: -63.327309
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.318
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: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -84.019751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019751 (E_RNA)
where:
Base-Base interactions energy: -35.994
where: short stacking energy: -34.027
Base-Backbone interact. energy: -0.242
local terms energy: -47.783229
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -89.012285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.012285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.012285 (E_RNA)
where:
Base-Base interactions energy: -41.506
where: short stacking energy: -33.711
Base-Backbone interact. energy: -0.621
local terms energy: -46.885928
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -86.473523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473523 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -28.297
Base-Backbone interact. energy: 0.332
local terms energy: -53.422144
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -11.904
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: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -84.109324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.109324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.109324 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -37.859
Base-Backbone interact. energy: -0.226
local terms energy: -45.207843
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -6.175
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -7.085
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: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -232.487827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.487827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.487827 (E_RNA)
where:
Base-Base interactions energy: -155.926
where: short stacking energy: -70.895
Base-Backbone interact. energy: -0.702
local terms energy: -75.859888
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -224.592978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.592978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.592978 (E_RNA)
where:
Base-Base interactions energy: -141.140
where: short stacking energy: -67.182
Base-Backbone interact. energy: -0.157
local terms energy: -83.295788
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -208.554055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.554055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.554055 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -60.700
Base-Backbone interact. energy: -0.144
local terms energy: -76.080530
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -203.630193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.630193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.630193 (E_RNA)
where:
Base-Base interactions energy: -128.759
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.084
local terms energy: -74.786837
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -137.803804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.803804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.803804 (E_RNA)
where:
Base-Base interactions energy: -83.112
where: short stacking energy: -37.823
Base-Backbone interact. energy: -0.394
local terms energy: -54.298062
where:
bonds (distance) C4'-P energy: -7.384
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -174.492093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.492093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.492093 (E_RNA)
where:
Base-Base interactions energy: -108.589
where: short stacking energy: -51.772
Base-Backbone interact. energy: -0.223
local terms energy: -65.680707
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -10.859
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: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -92.545642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545642 (E_RNA)
where:
Base-Base interactions energy: -43.271
where: short stacking energy: -16.429
Base-Backbone interact. energy: -0.705
local terms energy: -48.570113
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: 4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -86.170679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.170679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.170679 (E_RNA)
where:
Base-Base interactions energy: -37.807
where: short stacking energy: -34.247
Base-Backbone interact. energy: -0.114
local terms energy: -48.250307
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -78.049637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.049637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.049637 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -17.149
Base-Backbone interact. energy: -0.116
local terms energy: -40.227880
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -5.175
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: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -87.448544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448544 (E_RNA)
where:
Base-Base interactions energy: -35.493
where: short stacking energy: -32.954
Base-Backbone interact. energy: -0.044
local terms energy: -51.911705
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -9.239
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -230.172236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.172236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.172236 (E_RNA)
where:
Base-Base interactions energy: -145.954
where: short stacking energy: -72.455
Base-Backbone interact. energy: -0.279
local terms energy: -83.939308
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -237.896048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.896048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.896048 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.004
local terms energy: -80.113781
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -24.200
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: 404
Temperature: 1.000000
Total energy: -193.553312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.553312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.553312 (E_RNA)
where:
Base-Base interactions energy: -129.203
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.152
local terms energy: -64.198220
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -182.174639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.174639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.174639 (E_RNA)
where:
Base-Base interactions energy: -115.544
where: short stacking energy: -56.934
Base-Backbone interact. energy: -0.017
local terms energy: -66.614036
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -193.304877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.304877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.304877 (E_RNA)
where:
Base-Base interactions energy: -118.743
where: short stacking energy: -56.494
Base-Backbone interact. energy: 0.016
local terms energy: -74.578127
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -133.511315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.511315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.511315 (E_RNA)
where:
Base-Base interactions energy: -79.454
where: short stacking energy: -40.079
Base-Backbone interact. energy: -0.371
local terms energy: -53.685415
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -92.497140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.497140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.497140 (E_RNA)
where:
Base-Base interactions energy: -34.994
where: short stacking energy: -34.581
Base-Backbone interact. energy: -0.135
local terms energy: -57.367822
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -0.922
tors. eta vs tors. theta energy: -9.649
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: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -91.078629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.078629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.078629 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -34.653
Base-Backbone interact. energy: 0.079
local terms energy: -45.791612
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: 1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -81.011869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011869 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -23.608
Base-Backbone interact. energy: -0.024
local terms energy: -47.268724
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -71.228788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.228788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.228788 (E_RNA)
where:
Base-Base interactions energy: -21.275
where: short stacking energy: -13.444
Base-Backbone interact. energy: -0.404
local terms energy: -49.550103
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -1.599
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: 405
Temperature: 0.900000
Total energy: -235.440267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.440267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.440267 (E_RNA)
where:
Base-Base interactions energy: -159.628
where: short stacking energy: -77.860
Base-Backbone interact. energy: -0.255
local terms energy: -75.557715
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -234.112218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.112218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.112218 (E_RNA)
where:
Base-Base interactions energy: -157.759
where: short stacking energy: -78.655
Base-Backbone interact. energy: -0.165
local terms energy: -76.187966
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -199.706365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.706365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706365 (E_RNA)
where:
Base-Base interactions energy: -138.843
where: short stacking energy: -68.685
Base-Backbone interact. energy: -0.017
local terms energy: -60.846542
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -18.536
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: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -210.321946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.321946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.321946 (E_RNA)
where:
Base-Base interactions energy: -135.347
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.002
local terms energy: -74.973179
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -12.213
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: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -181.399042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.399042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.399042 (E_RNA)
where:
Base-Base interactions energy: -107.988
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.013
local terms energy: -73.398207
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -146.005874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.005874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.005874 (E_RNA)
where:
Base-Base interactions energy: -84.494
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.452
local terms energy: -61.060027
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -93.240187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.240187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.240187 (E_RNA)
where:
Base-Base interactions energy: -37.200
where: short stacking energy: -34.942
Base-Backbone interact. energy: -0.199
local terms energy: -55.841066
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -9.021
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: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -92.358265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358265 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.031
local terms energy: -56.201744
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -5.371
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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -79.064194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064194 (E_RNA)
where:
Base-Base interactions energy: -24.894
where: short stacking energy: -24.894
Base-Backbone interact. energy: -0.203
local terms energy: -53.967132
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -77.540907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.540907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.540907 (E_RNA)
where:
Base-Base interactions energy: -27.192
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.120
local terms energy: -50.229273
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -234.708785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.708785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.708785 (E_RNA)
where:
Base-Base interactions energy: -155.936
where: short stacking energy: -72.282
Base-Backbone interact. energy: 0.237
local terms energy: -79.009649
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -19.045
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: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -236.124871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.124871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.124871 (E_RNA)
where:
Base-Base interactions energy: -159.301
where: short stacking energy: -78.035
Base-Backbone interact. energy: 0.264
local terms energy: -77.087662
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -219.015924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.015924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.015924 (E_RNA)
where:
Base-Base interactions energy: -149.356
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.003
local terms energy: -69.656697
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -207.791760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.791760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.791760 (E_RNA)
where:
Base-Base interactions energy: -131.139
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.072
local terms energy: -76.581217
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -172.520917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.520917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.520917 (E_RNA)
where:
Base-Base interactions energy: -105.026
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.001
local terms energy: -67.494288
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -7.345
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: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -151.798347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.798347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.798347 (E_RNA)
where:
Base-Base interactions energy: -82.280
where: short stacking energy: -50.433
Base-Backbone interact. energy: -0.012
local terms energy: -69.506651
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -90.913580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.913580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.913580 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.451
local terms energy: -53.808682
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -85.455560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455560 (E_RNA)
where:
Base-Base interactions energy: -32.372
where: short stacking energy: -32.728
Base-Backbone interact. energy: -0.179
local terms energy: -52.903885
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -80.252817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.252817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.252817 (E_RNA)
where:
Base-Base interactions energy: -26.178
where: short stacking energy: -21.860
Base-Backbone interact. energy: -1.616
local terms energy: -52.458840
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -76.654949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.654949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.654949 (E_RNA)
where:
Base-Base interactions energy: -24.685
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.230
local terms energy: -51.739790
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -230.644754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.644754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.644754 (E_RNA)
where:
Base-Base interactions energy: -153.633
where: short stacking energy: -75.725
Base-Backbone interact. energy: -0.001
local terms energy: -77.010835
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -228.852634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.852634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.852634 (E_RNA)
where:
Base-Base interactions energy: -155.032
where: short stacking energy: -66.466
Base-Backbone interact. energy: -0.097
local terms energy: -73.723586
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.457
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: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -225.056148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.056148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.056148 (E_RNA)
where:
Base-Base interactions energy: -144.552
where: short stacking energy: -69.399
Base-Backbone interact. energy: -0.009
local terms energy: -80.494786
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -202.885212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.885212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.885212 (E_RNA)
where:
Base-Base interactions energy: -124.460
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.101
local terms energy: -78.324452
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -178.668252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.668252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.668252 (E_RNA)
where:
Base-Base interactions energy: -111.973
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.081
local terms energy: -66.614551
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -110.096737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.096737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.096737 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -40.140
Base-Backbone interact. energy: -0.180
local terms energy: -61.692664
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -137.717918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.717918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.717918 (E_RNA)
where:
Base-Base interactions energy: -76.793
where: short stacking energy: -41.046
Base-Backbone interact. energy: -0.103
local terms energy: -60.822538
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -86.492552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.492552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.492552 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.237
local terms energy: -55.253315
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -72.991301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.991301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.991301 (E_RNA)
where:
Base-Base interactions energy: -24.581
where: short stacking energy: -24.560
Base-Backbone interact. energy: 1.362
local terms energy: -49.772174
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -1.567
tors. eta vs tors. theta energy: -5.243
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: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -70.196471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.196471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.196471 (E_RNA)
where:
Base-Base interactions energy: -27.349
where: short stacking energy: -10.256
Base-Backbone interact. energy: -0.349
local terms energy: -42.498414
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.966
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: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -236.475847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.475847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.475847 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -72.962
Base-Backbone interact. energy: -0.000
local terms energy: -79.265214
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -229.898620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.898620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.898620 (E_RNA)
where:
Base-Base interactions energy: -157.995
where: short stacking energy: -74.385
Base-Backbone interact. energy: 0.822
local terms energy: -72.726051
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.694
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: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -211.394015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.394015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.394015 (E_RNA)
where:
Base-Base interactions energy: -134.624
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.564
local terms energy: -76.206727
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -13.403
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: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -215.724202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.724202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.724202 (E_RNA)
where:
Base-Base interactions energy: -145.002
where: short stacking energy: -71.847
Base-Backbone interact. energy: -0.003
local terms energy: -70.719399
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -8.652
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -180.054239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.054239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.054239 (E_RNA)
where:
Base-Base interactions energy: -109.441
where: short stacking energy: -55.619
Base-Backbone interact. energy: -0.152
local terms energy: -70.461529
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -145.477634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.477634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.477634 (E_RNA)
where:
Base-Base interactions energy: -85.741
where: short stacking energy: -42.058
Base-Backbone interact. energy: -0.035
local terms energy: -59.702061
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -97.637653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.637653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.637653 (E_RNA)
where:
Base-Base interactions energy: -36.274
where: short stacking energy: -36.185
Base-Backbone interact. energy: -0.133
local terms energy: -61.230952
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -125.064087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.064087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.064087 (E_RNA)
where:
Base-Base interactions energy: -67.569
where: short stacking energy: -37.437
Base-Backbone interact. energy: -0.149
local terms energy: -57.346300
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -12.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -87.739651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739651 (E_RNA)
where:
Base-Base interactions energy: -34.537
where: short stacking energy: -27.258
Base-Backbone interact. energy: -1.100
local terms energy: -52.103544
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -83.416181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.416181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.416181 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.364
local terms energy: -53.274930
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -235.338965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.338965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.338965 (E_RNA)
where:
Base-Base interactions energy: -148.440
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.111
local terms energy: -86.788013
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -215.347424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.347424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.347424 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.168
local terms energy: -77.637627
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -21.264
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -226.666923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.666923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.666923 (E_RNA)
where:
Base-Base interactions energy: -146.325
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.304
local terms energy: -80.037332
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -22.474
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: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -197.241852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.241852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.241852 (E_RNA)
where:
Base-Base interactions energy: -131.711
where: short stacking energy: -53.456
Base-Backbone interact. energy: -1.431
local terms energy: -64.100359
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -203.950674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.950674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.950674 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.065
local terms energy: -74.603434
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.425
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -171.367962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.367962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.367962 (E_RNA)
where:
Base-Base interactions energy: -105.616
where: short stacking energy: -55.438
Base-Backbone interact. energy: -0.269
local terms energy: -65.482974
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -91.748869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.748869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.748869 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -39.565
Base-Backbone interact. energy: -0.051
local terms energy: -52.132317
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -6.759
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: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -82.882414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.882414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.882414 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -25.408
Base-Backbone interact. energy: -0.055
local terms energy: -53.547498
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -85.296559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.296559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.296559 (E_RNA)
where:
Base-Base interactions energy: -34.096
where: short stacking energy: -26.776
Base-Backbone interact. energy: -0.165
local terms energy: -51.035962
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -7.385
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -76.390874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.390874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.390874 (E_RNA)
where:
Base-Base interactions energy: -24.477
where: short stacking energy: -21.721
Base-Backbone interact. energy: -0.563
local terms energy: -51.351160
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -4.784
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: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -231.424538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.424538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.424538 (E_RNA)
where:
Base-Base interactions energy: -160.732
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.329
local terms energy: -70.364118
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -216.403128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.403128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.403128 (E_RNA)
where:
Base-Base interactions energy: -133.883
where: short stacking energy: -72.520
Base-Backbone interact. energy: -0.049
local terms energy: -82.470483
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -13.619
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: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -199.929506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.929506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.929506 (E_RNA)
where:
Base-Base interactions energy: -124.727
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.188
local terms energy: -75.014774
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -217.410035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.410035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.410035 (E_RNA)
where:
Base-Base interactions energy: -146.188
where: short stacking energy: -61.970
Base-Backbone interact. energy: -0.109
local terms energy: -71.112946
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -17.788
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -172.192309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.192309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.192309 (E_RNA)
where:
Base-Base interactions energy: -98.621
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.389
local terms energy: -73.181706
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -8.957
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: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -184.239190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.239190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.239190 (E_RNA)
where:
Base-Base interactions energy: -110.119
where: short stacking energy: -55.029
Base-Backbone interact. energy: -0.423
local terms energy: -73.697396
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -83.826670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.826670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.826670 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -37.097
Base-Backbone interact. energy: -0.209
local terms energy: -46.520338
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -5.478
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -87.766973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766973 (E_RNA)
where:
Base-Base interactions energy: -35.177
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.059
local terms energy: -52.531086
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -79.483662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.483662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.483662 (E_RNA)
where:
Base-Base interactions energy: -16.992
where: short stacking energy: -16.992
Base-Backbone interact. energy: -0.030
local terms energy: -62.461301
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -8.417
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: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -83.214766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.214766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.214766 (E_RNA)
where:
Base-Base interactions energy: -26.793
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.117
local terms energy: -56.304162
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -231.814907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.814907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.814907 (E_RNA)
where:
Base-Base interactions energy: -154.053
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.123
local terms energy: -77.639383
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -209.127948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.127948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.127948 (E_RNA)
where:
Base-Base interactions energy: -134.545
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.001
local terms energy: -74.581142
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -222.604937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.604937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.604937 (E_RNA)
where:
Base-Base interactions energy: -146.223
where: short stacking energy: -68.602
Base-Backbone interact. energy: -0.198
local terms energy: -76.183609
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -225.489816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.489816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.489816 (E_RNA)
where:
Base-Base interactions energy: -156.521
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.462
local terms energy: -68.506510
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -6.496
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: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -171.866359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.866359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.866359 (E_RNA)
where:
Base-Base interactions energy: -101.358
where: short stacking energy: -46.743
Base-Backbone interact. energy: -0.002
local terms energy: -70.506760
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -192.281849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.281849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.281849 (E_RNA)
where:
Base-Base interactions energy: -125.553
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.069
local terms energy: -66.660422
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -80.034230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.034230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.034230 (E_RNA)
where:
Base-Base interactions energy: -27.659
where: short stacking energy: -27.659
Base-Backbone interact. energy: -0.971
local terms energy: -51.404495
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -5.931
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: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -84.065122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.065122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.065122 (E_RNA)
where:
Base-Base interactions energy: -31.843
where: short stacking energy: -27.561
Base-Backbone interact. energy: 1.975
local terms energy: -54.197232
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -79.287300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.287300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.287300 (E_RNA)
where:
Base-Base interactions energy: -34.941
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.028
local terms energy: -44.318789
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -84.850292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.850292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.850292 (E_RNA)
where:
Base-Base interactions energy: -36.127
where: short stacking energy: -36.127
Base-Backbone interact. energy: -0.220
local terms energy: -48.503285
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -222.898235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.898235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.898235 (E_RNA)
where:
Base-Base interactions energy: -138.378
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.098
local terms energy: -84.422746
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -227.680013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.680013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.680013 (E_RNA)
where:
Base-Base interactions energy: -153.676
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.316
local terms energy: -73.687362
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -225.846505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.846505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.846505 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -75.990
Base-Backbone interact. energy: -0.072
local terms energy: -71.091817
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -221.381014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.381014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.381014 (E_RNA)
where:
Base-Base interactions energy: -144.799
where: short stacking energy: -72.934
Base-Backbone interact. energy: -0.001
local terms energy: -76.581708
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -197.942124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.942124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.942124 (E_RNA)
where:
Base-Base interactions energy: -125.263
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.013
local terms energy: -72.666269
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -155.218161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.218161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.218161 (E_RNA)
where:
Base-Base interactions energy: -97.376
where: short stacking energy: -41.856
Base-Backbone interact. energy: -0.102
local terms energy: -57.739379
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -11.308
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: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -106.972509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.972509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.972509 (E_RNA)
where:
Base-Base interactions energy: -57.842
where: short stacking energy: -40.273
Base-Backbone interact. energy: -0.047
local terms energy: -49.083579
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -85.272207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272207 (E_RNA)
where:
Base-Base interactions energy: -33.306
where: short stacking energy: -29.672
Base-Backbone interact. energy: -0.815
local terms energy: -51.151283
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -72.695070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.695070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.695070 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -26.824
Base-Backbone interact. energy: 0.124
local terms energy: -45.994838
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -74.672044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.672044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.672044 (E_RNA)
where:
Base-Base interactions energy: -28.665
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.636
local terms energy: -45.371012
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: 1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -228.504730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.504730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.504730 (E_RNA)
where:
Base-Base interactions energy: -144.525
where: short stacking energy: -72.395
Base-Backbone interact. energy: -0.099
local terms energy: -83.880193
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -222.191174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.191174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.191174 (E_RNA)
where:
Base-Base interactions energy: -148.432
where: short stacking energy: -74.186
Base-Backbone interact. energy: -0.005
local terms energy: -73.754551
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -7.240
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -19.622
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: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -216.129645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.129645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129645 (E_RNA)
where:
Base-Base interactions energy: -146.742
where: short stacking energy: -76.678
Base-Backbone interact. energy: -0.001
local terms energy: -69.387128
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -21.775
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: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -201.664838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.664838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.664838 (E_RNA)
where:
Base-Base interactions energy: -126.056
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.001
local terms energy: -75.608299
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -174.346396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.346396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.346396 (E_RNA)
where:
Base-Base interactions energy: -109.428
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.001
local terms energy: -64.917552
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -125.362225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.362225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.362225 (E_RNA)
where:
Base-Base interactions energy: -65.477
where: short stacking energy: -37.484
Base-Backbone interact. energy: -0.161
local terms energy: -59.723936
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -170.777858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.777858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.777858 (E_RNA)
where:
Base-Base interactions energy: -103.242
where: short stacking energy: -43.856
Base-Backbone interact. energy: -0.305
local terms energy: -67.230568
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -94.394947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.394947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.394947 (E_RNA)
where:
Base-Base interactions energy: -38.889
where: short stacking energy: -38.889
Base-Backbone interact. energy: -0.213
local terms energy: -55.292689
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -94.075344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.075344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.075344 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -37.008
Base-Backbone interact. energy: -0.078
local terms energy: -56.989330
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -86.732238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.732238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.732238 (E_RNA)
where:
Base-Base interactions energy: -47.398
where: short stacking energy: -21.886
Base-Backbone interact. energy: 4.868
local terms energy: -44.202452
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: 3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -225.210212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.210212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.210212 (E_RNA)
where:
Base-Base interactions energy: -147.114
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.001
local terms energy: -78.095329
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -214.105897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.105897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.105897 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -67.269
Base-Backbone interact. energy: -0.003
local terms energy: -78.886262
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -19.916
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: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -201.564531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.564531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.564531 (E_RNA)
where:
Base-Base interactions energy: -134.469
where: short stacking energy: -71.205
Base-Backbone interact. energy: -0.001
local terms energy: -67.094962
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -20.658
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -187.192935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.192935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.192935 (E_RNA)
where:
Base-Base interactions energy: -115.879
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.066
local terms energy: -71.247719
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -167.285696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.285696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.285696 (E_RNA)
where:
Base-Base interactions energy: -110.491
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.169
local terms energy: -56.625604
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -6.413
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: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -120.088237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.088237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.088237 (E_RNA)
where:
Base-Base interactions energy: -63.483
where: short stacking energy: -49.779
Base-Backbone interact. energy: -0.017
local terms energy: -56.587923
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -159.541736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.541736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.541736 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -38.522
Base-Backbone interact. energy: -0.161
local terms energy: -56.334371
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -89.209261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.209261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.209261 (E_RNA)
where:
Base-Base interactions energy: -43.476
where: short stacking energy: -16.413
Base-Backbone interact. energy: -0.324
local terms energy: -45.409111
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: 4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -79.603729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603729 (E_RNA)
where:
Base-Base interactions energy: -38.479
where: short stacking energy: -20.476
Base-Backbone interact. energy: -0.406
local terms energy: -40.718806
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: 5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -71.285903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.285903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.285903 (E_RNA)
where:
Base-Base interactions energy: -25.546
where: short stacking energy: -25.546
Base-Backbone interact. energy: 0.474
local terms energy: -46.213009
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -223.568263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.568263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.568263 (E_RNA)
where:
Base-Base interactions energy: -145.778
where: short stacking energy: -71.753
Base-Backbone interact. energy: 1.206
local terms energy: -78.997053
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -17.323
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: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -200.052217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.052217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.052217 (E_RNA)
where:
Base-Base interactions energy: -127.428
where: short stacking energy: -70.472
Base-Backbone interact. energy: -0.020
local terms energy: -72.604396
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -215.227943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.227943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.227943 (E_RNA)
where:
Base-Base interactions energy: -145.111
where: short stacking energy: -76.329
Base-Backbone interact. energy: -0.001
local terms energy: -70.115588
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -24.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -208.274038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.274038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.274038 (E_RNA)
where:
Base-Base interactions energy: -132.498
where: short stacking energy: -68.887
Base-Backbone interact. energy: -0.001
local terms energy: -75.775444
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -177.237457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.237457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.237457 (E_RNA)
where:
Base-Base interactions energy: -113.871
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.004
local terms energy: -63.362264
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -171.205674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.205674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.205674 (E_RNA)
where:
Base-Base interactions energy: -97.861
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.369
local terms energy: -72.975653
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -100.076750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.076750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.076750 (E_RNA)
where:
Base-Base interactions energy: -48.381
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.988
local terms energy: -50.707730
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -85.731599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.731599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.731599 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -29.015
Base-Backbone interact. energy: -0.232
local terms energy: -40.550275
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -1.901
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: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -92.111324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.111324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.111324 (E_RNA)
where:
Base-Base interactions energy: -41.144
where: short stacking energy: -33.111
Base-Backbone interact. energy: -0.171
local terms energy: -50.796117
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.288
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: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -75.279772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.279772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.279772 (E_RNA)
where:
Base-Base interactions energy: -22.711
where: short stacking energy: -22.198
Base-Backbone interact. energy: -0.133
local terms energy: -52.436495
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -227.117063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.117063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.117063 (E_RNA)
where:
Base-Base interactions energy: -151.390
where: short stacking energy: -75.514
Base-Backbone interact. energy: -0.077
local terms energy: -75.649927
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -236.201400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.201400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.201400 (E_RNA)
where:
Base-Base interactions energy: -156.281
where: short stacking energy: -75.650
Base-Backbone interact. energy: -0.228
local terms energy: -79.692623
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.457
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: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -216.306851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.306851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.306851 (E_RNA)
where:
Base-Base interactions energy: -135.703
where: short stacking energy: -67.195
Base-Backbone interact. energy: -0.256
local terms energy: -80.348527
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -197.926511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.926511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.926511 (E_RNA)
where:
Base-Base interactions energy: -125.853
where: short stacking energy: -61.067
Base-Backbone interact. energy: -0.001
local terms energy: -72.072835
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -10.735
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -187.452933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.452933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.452933 (E_RNA)
where:
Base-Base interactions energy: -124.397
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.018
local terms energy: -63.038332
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -7.321
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: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -179.317763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.317763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.317763 (E_RNA)
where:
Base-Base interactions energy: -111.248
where: short stacking energy: -43.921
Base-Backbone interact. energy: -0.955
local terms energy: -67.114807
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -75.875991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.875991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.875991 (E_RNA)
where:
Base-Base interactions energy: -22.706
where: short stacking energy: -20.529
Base-Backbone interact. energy: -0.159
local terms energy: -53.010889
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: 3.614
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: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -91.027801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027801 (E_RNA)
where:
Base-Base interactions energy: -34.725
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.125
local terms energy: -56.178075
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -7.390
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: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -84.367406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.367406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.367406 (E_RNA)
where:
Base-Base interactions energy: -37.774
where: short stacking energy: -29.314
Base-Backbone interact. energy: -0.721
local terms energy: -45.872863
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -84.169798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.169798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.169798 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -26.463
Base-Backbone interact. energy: -0.356
local terms energy: -47.116787
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -227.517492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.517492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.517492 (E_RNA)
where:
Base-Base interactions energy: -152.068
where: short stacking energy: -75.577
Base-Backbone interact. energy: -0.124
local terms energy: -75.326047
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -19.601
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: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -214.708267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.708267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.708267 (E_RNA)
where:
Base-Base interactions energy: -129.917
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.370
local terms energy: -84.421307
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -225.527054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.527054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.527054 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -72.994
Base-Backbone interact. energy: 0.165
local terms energy: -74.772532
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -18.428
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: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -196.887228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.887228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.887228 (E_RNA)
where:
Base-Base interactions energy: -122.508
where: short stacking energy: -52.192
Base-Backbone interact. energy: -0.003
local terms energy: -74.376387
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -172.298031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.298031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.298031 (E_RNA)
where:
Base-Base interactions energy: -112.259
where: short stacking energy: -60.506
Base-Backbone interact. energy: 0.566
local terms energy: -60.604929
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.146
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: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -192.252363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252363 (E_RNA)
where:
Base-Base interactions energy: -122.609
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.379
local terms energy: -69.264371
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -96.189519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.189519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.189519 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -36.038
Base-Backbone interact. energy: -0.227
local terms energy: -59.707649
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -88.470437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.470437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.470437 (E_RNA)
where:
Base-Base interactions energy: -40.626
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.090
local terms energy: -47.753629
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -1.548
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -88.277598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.277598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.277598 (E_RNA)
where:
Base-Base interactions energy: -43.314
where: short stacking energy: -28.253
Base-Backbone interact. energy: -0.052
local terms energy: -44.912170
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -8.189
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: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -88.790505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.790505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.790505 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -25.127
Base-Backbone interact. energy: -0.048
local terms energy: -52.282692
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -1.230
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: 418
Temperature: 0.900000
Total energy: -231.400456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.400456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.400456 (E_RNA)
where:
Base-Base interactions energy: -153.061
where: short stacking energy: -74.686
Base-Backbone interact. energy: -0.000
local terms energy: -78.339519
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -21.147
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: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -211.189760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.189760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.189760 (E_RNA)
where:
Base-Base interactions energy: -140.084
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.097
local terms energy: -71.008633
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -233.465766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.465766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.465766 (E_RNA)
where:
Base-Base interactions energy: -157.018
where: short stacking energy: -75.768
Base-Backbone interact. energy: 0.667
local terms energy: -77.114559
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -205.373500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.373500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.373500 (E_RNA)
where:
Base-Base interactions energy: -133.166
where: short stacking energy: -54.888
Base-Backbone interact. energy: -0.680
local terms energy: -71.527302
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -197.951933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.951933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.951933 (E_RNA)
where:
Base-Base interactions energy: -128.336
where: short stacking energy: -61.146
Base-Backbone interact. energy: -0.162
local terms energy: -69.453874
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -18.795
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: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -162.380167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.380167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.380167 (E_RNA)
where:
Base-Base interactions energy: -99.795
where: short stacking energy: -46.165
Base-Backbone interact. energy: 0.067
local terms energy: -62.651709
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -106.569714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.569714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.569714 (E_RNA)
where:
Base-Base interactions energy: -56.599
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.345
local terms energy: -49.625688
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -7.209
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: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -86.227252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.227252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.227252 (E_RNA)
where:
Base-Base interactions energy: -39.010
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.030
local terms energy: -47.187619
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -6.081
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: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -86.549719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.549719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.549719 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -28.433
Base-Backbone interact. energy: 0.229
local terms energy: -50.954793
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -77.061788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.061788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.061788 (E_RNA)
where:
Base-Base interactions energy: -25.500
where: short stacking energy: -25.500
Base-Backbone interact. energy: -0.165
local terms energy: -51.396564
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -236.274722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.274722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.274722 (E_RNA)
where:
Base-Base interactions energy: -155.942
where: short stacking energy: -74.847
Base-Backbone interact. energy: -0.001
local terms energy: -80.331655
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -227.124393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.124393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.124393 (E_RNA)
where:
Base-Base interactions energy: -146.543
where: short stacking energy: -72.619
Base-Backbone interact. energy: -0.009
local terms energy: -80.572063
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -207.214108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.214108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.214108 (E_RNA)
where:
Base-Base interactions energy: -131.609
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.042
local terms energy: -75.563513
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -196.861203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.861203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.861203 (E_RNA)
where:
Base-Base interactions energy: -130.178
where: short stacking energy: -61.495
Base-Backbone interact. energy: -0.032
local terms energy: -66.651231
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -18.763
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: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -200.832164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.832164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.832164 (E_RNA)
where:
Base-Base interactions energy: -132.912
where: short stacking energy: -67.417
Base-Backbone interact. energy: -0.006
local terms energy: -67.913959
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -18.177
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: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -170.807460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.807460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.807460 (E_RNA)
where:
Base-Base interactions energy: -101.166
where: short stacking energy: -48.675
Base-Backbone interact. energy: -0.400
local terms energy: -69.241689
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -15.347
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: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -97.333682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.333682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.333682 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.005
local terms energy: -63.847621
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -8.462
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: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -78.065430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.065430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.065430 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -29.418
Base-Backbone interact. energy: -0.269
local terms energy: -43.030976
where:
bonds (distance) C4'-P energy: -7.822
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -79.220152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.220152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.220152 (E_RNA)
where:
Base-Base interactions energy: -26.994
where: short stacking energy: -22.810
Base-Backbone interact. energy: -0.044
local terms energy: -52.182423
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -4.675
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: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -83.629518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.629518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.629518 (E_RNA)
where:
Base-Base interactions energy: -50.030
where: short stacking energy: -31.528
Base-Backbone interact. energy: -0.804
local terms energy: -32.795513
where:
bonds (distance) C4'-P energy: -1.552
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: 0.254
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: 420
Temperature: 0.900000
Total energy: -235.599850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.599850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.599850 (E_RNA)
where:
Base-Base interactions energy: -157.663
where: short stacking energy: -75.487
Base-Backbone interact. energy: -0.001
local terms energy: -77.935336
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -22.846
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: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -215.724608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.724608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.724608 (E_RNA)
where:
Base-Base interactions energy: -141.210
where: short stacking energy: -63.249
Base-Backbone interact. energy: -0.143
local terms energy: -74.371502
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -219.683357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.683357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.683357 (E_RNA)
where:
Base-Base interactions energy: -144.077
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.006
local terms energy: -75.600168
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -10.004
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: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -200.642787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.642787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.642787 (E_RNA)
where:
Base-Base interactions energy: -134.867
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.093
local terms energy: -65.682941
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -204.583055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.583055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.583055 (E_RNA)
where:
Base-Base interactions energy: -129.018
where: short stacking energy: -57.639
Base-Backbone interact. energy: -0.123
local terms energy: -75.441317
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.643
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: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -170.577191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.577191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.577191 (E_RNA)
where:
Base-Base interactions energy: -108.330
where: short stacking energy: -57.111
Base-Backbone interact. energy: -0.049
local terms energy: -62.197694
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -8.432
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: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -89.958022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.958022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.958022 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -24.256
Base-Backbone interact. energy: -0.282
local terms energy: -55.929435
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -11.173
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: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -82.364605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.364605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.364605 (E_RNA)
where:
Base-Base interactions energy: -25.810
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.081
local terms energy: -56.473533
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -3.976
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: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -119.692087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.692087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.692087 (E_RNA)
where:
Base-Base interactions energy: -64.685
where: short stacking energy: -30.400
Base-Backbone interact. energy: -0.085
local terms energy: -54.922367
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -5.399
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: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -85.501667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.501667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.501667 (E_RNA)
where:
Base-Base interactions energy: -37.830
where: short stacking energy: -23.185
Base-Backbone interact. energy: -0.631
local terms energy: -47.040540
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -236.600832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.600832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.600832 (E_RNA)
where:
Base-Base interactions energy: -155.557
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.281
local terms energy: -80.762358
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -219.759732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.759732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.759732 (E_RNA)
where:
Base-Base interactions energy: -147.009
where: short stacking energy: -69.251
Base-Backbone interact. energy: -0.026
local terms energy: -72.724378
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -202.297496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.297496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.297496 (E_RNA)
where:
Base-Base interactions energy: -132.451
where: short stacking energy: -59.812
Base-Backbone interact. energy: -0.273
local terms energy: -69.573340
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -204.578701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.578701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.578701 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.078
local terms energy: -76.020493
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -22.331
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: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -205.768049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.768049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.768049 (E_RNA)
where:
Base-Base interactions energy: -129.246
where: short stacking energy: -65.463
Base-Backbone interact. energy: -0.010
local terms energy: -76.512127
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.037
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: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -178.840583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.840583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840583 (E_RNA)
where:
Base-Base interactions energy: -113.855
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.001
local terms energy: -64.984754
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -7.330
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: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -89.638776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.638776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.638776 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.142
local terms energy: -49.341749
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -90.959471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959471 (E_RNA)
where:
Base-Base interactions energy: -40.546
where: short stacking energy: -27.648
Base-Backbone interact. energy: -2.103
local terms energy: -48.310352
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -79.872409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.872409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.872409 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -23.633
Base-Backbone interact. energy: -0.290
local terms energy: -44.520579
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -75.738675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.738675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.738675 (E_RNA)
where:
Base-Base interactions energy: -19.574
where: short stacking energy: -19.574
Base-Backbone interact. energy: -0.137
local terms energy: -56.027409
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -235.740298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.740298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.740298 (E_RNA)
where:
Base-Base interactions energy: -157.707
where: short stacking energy: -75.529
Base-Backbone interact. energy: -0.108
local terms energy: -77.925635
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -8.761
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: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -224.973043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.973043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.973043 (E_RNA)
where:
Base-Base interactions energy: -149.649
where: short stacking energy: -68.894
Base-Backbone interact. energy: -0.225
local terms energy: -75.099412
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -212.283425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.283425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.283425 (E_RNA)
where:
Base-Base interactions energy: -138.495
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.003
local terms energy: -73.785465
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -11.747
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: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -223.441899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.441899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.441899 (E_RNA)
where:
Base-Base interactions energy: -148.911
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.001
local terms energy: -74.529955
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -197.214446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.214446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.214446 (E_RNA)
where:
Base-Base interactions energy: -122.813
where: short stacking energy: -60.383
Base-Backbone interact. energy: -0.020
local terms energy: -74.381074
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -12.283
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: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -174.914768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.914768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.914768 (E_RNA)
where:
Base-Base interactions energy: -107.320
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.405
local terms energy: -67.189791
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -99.551739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.551739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.551739 (E_RNA)
where:
Base-Base interactions energy: -42.595
where: short stacking energy: -42.595
Base-Backbone interact. energy: -0.065
local terms energy: -56.892207
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -90.689946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689946 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -34.791
Base-Backbone interact. energy: -0.259
local terms energy: -55.639241
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -4.547
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: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -94.377834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.377834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.377834 (E_RNA)
where:
Base-Base interactions energy: -48.182
where: short stacking energy: -30.459
Base-Backbone interact. energy: -0.510
local terms energy: -45.685874
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -83.146852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.146852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.146852 (E_RNA)
where:
Base-Base interactions energy: -30.918
where: short stacking energy: -24.185
Base-Backbone interact. energy: -0.164
local terms energy: -52.064730
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -235.317233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.317233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.317233 (E_RNA)
where:
Base-Base interactions energy: -156.948
where: short stacking energy: -72.493
Base-Backbone interact. energy: -0.537
local terms energy: -77.831872
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -205.080675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.080675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.080675 (E_RNA)
where:
Base-Base interactions energy: -134.231
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.085
local terms energy: -70.764888
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -214.975940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.975940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.975940 (E_RNA)
where:
Base-Base interactions energy: -135.873
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.001
local terms energy: -79.102167
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -20.083
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: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -220.398890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.398890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.398890 (E_RNA)
where:
Base-Base interactions energy: -145.723
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.808
local terms energy: -73.867604
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -23.198
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: 423
Temperature: 1.100000
Total energy: -206.607494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.607494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.607494 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -66.618
Base-Backbone interact. energy: 0.743
local terms energy: -72.376955
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.499
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: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -191.621496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.621496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.621496 (E_RNA)
where:
Base-Base interactions energy: -127.049
where: short stacking energy: -62.003
Base-Backbone interact. energy: 0.789
local terms energy: -65.361760
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -12.198
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: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -94.531636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.531636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.531636 (E_RNA)
where:
Base-Base interactions energy: -37.184
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.463
local terms energy: -56.884354
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -87.935040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.935040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.935040 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -31.418
Base-Backbone interact. energy: 0.727
local terms energy: -55.557893
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -78.980364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.980364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.980364 (E_RNA)
where:
Base-Base interactions energy: -28.738
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.132
local terms energy: -50.109577
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -73.363674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.363674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.363674 (E_RNA)
where:
Base-Base interactions energy: -28.239
where: short stacking energy: -23.817
Base-Backbone interact. energy: -1.282
local terms energy: -43.842536
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -6.103
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: 424
Temperature: 0.900000
Total energy: -234.044153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.044153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.044153 (E_RNA)
where:
Base-Base interactions energy: -160.149
where: short stacking energy: -75.327
Base-Backbone interact. energy: -0.001
local terms energy: -73.894236
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -205.336896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.336896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.336896 (E_RNA)
where:
Base-Base interactions energy: -141.284
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.845
local terms energy: -63.208412
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.582
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: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -228.253629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.253629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.253629 (E_RNA)
where:
Base-Base interactions energy: -148.301
where: short stacking energy: -71.827
Base-Backbone interact. energy: 1.821
local terms energy: -81.773547
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -217.902878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.902878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.902878 (E_RNA)
where:
Base-Base interactions energy: -139.943
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.000
local terms energy: -77.959974
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -170.182990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.182990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.182990 (E_RNA)
where:
Base-Base interactions energy: -113.863
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.084
local terms energy: -56.235695
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -14.176
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -167.054413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.054413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.054413 (E_RNA)
where:
Base-Base interactions energy: -101.795
where: short stacking energy: -43.413
Base-Backbone interact. energy: -0.055
local terms energy: -65.204533
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -105.590260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.590260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.590260 (E_RNA)
where:
Base-Base interactions energy: -59.502
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.150
local terms energy: -45.938194
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -114.035912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.035912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.035912 (E_RNA)
where:
Base-Base interactions energy: -63.975
where: short stacking energy: -32.356
Base-Backbone interact. energy: -0.358
local terms energy: -49.703067
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -88.524614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.524614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.524614 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.311
local terms energy: -46.173755
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -74.728429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.728429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.728429 (E_RNA)
where:
Base-Base interactions energy: -24.106
where: short stacking energy: -24.106
Base-Backbone interact. energy: -0.319
local terms energy: -50.303819
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -233.359534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.359534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.359534 (E_RNA)
where:
Base-Base interactions energy: -155.052
where: short stacking energy: -71.247
Base-Backbone interact. energy: -0.001
local terms energy: -78.307293
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.700
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: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -238.198467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.198467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.198467 (E_RNA)
where:
Base-Base interactions energy: -165.145
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.007
local terms energy: -73.046850
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -215.335372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.335372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.335372 (E_RNA)
where:
Base-Base interactions energy: -135.245
where: short stacking energy: -70.084
Base-Backbone interact. energy: -0.000
local terms energy: -80.090126
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -12.004
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: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -172.571987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.571987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.571987 (E_RNA)
where:
Base-Base interactions energy: -108.693
where: short stacking energy: -53.775
Base-Backbone interact. energy: -0.017
local terms energy: -63.862075
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -9.675
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: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -213.026027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.026027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.026027 (E_RNA)
where:
Base-Base interactions energy: -138.737
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.003
local terms energy: -74.286776
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -170.590734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.590734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.590734 (E_RNA)
where:
Base-Base interactions energy: -106.868
where: short stacking energy: -49.148
Base-Backbone interact. energy: -0.085
local terms energy: -63.637681
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -86.103293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.103293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.103293 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -35.308
Base-Backbone interact. energy: 1.171
local terms energy: -44.427668
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -0.814
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: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -99.570062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.570062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.570062 (E_RNA)
where:
Base-Base interactions energy: -38.809
where: short stacking energy: -21.788
Base-Backbone interact. energy: -0.318
local terms energy: -60.443116
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -0.853
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: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -80.398836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.398836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.398836 (E_RNA)
where:
Base-Base interactions energy: -23.490
where: short stacking energy: -22.772
Base-Backbone interact. energy: -0.143
local terms energy: -56.764869
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -73.175786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.175786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.175786 (E_RNA)
where:
Base-Base interactions energy: -25.869
where: short stacking energy: -25.869
Base-Backbone interact. energy: -0.524
local terms energy: -46.782714
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: 3.452
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -234.179185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.179185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.179185 (E_RNA)
where:
Base-Base interactions energy: -158.451
where: short stacking energy: -76.668
Base-Backbone interact. energy: -0.010
local terms energy: -75.718062
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -233.469845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.469845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.469845 (E_RNA)
where:
Base-Base interactions energy: -155.605
where: short stacking energy: -75.598
Base-Backbone interact. energy: -0.002
local terms energy: -77.862716
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -210.449324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.449324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.449324 (E_RNA)
where:
Base-Base interactions energy: -137.312
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.316
local terms energy: -72.821638
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -178.526262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.526262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.526262 (E_RNA)
where:
Base-Base interactions energy: -113.865
where: short stacking energy: -54.077
Base-Backbone interact. energy: -0.120
local terms energy: -64.541126
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -11.140
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: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -191.299621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.299621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.299621 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -58.499
Base-Backbone interact. energy: -1.806
local terms energy: -73.596606
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -185.739094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.739094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.739094 (E_RNA)
where:
Base-Base interactions energy: -121.550
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.057
local terms energy: -64.131743
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -100.343123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.343123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.343123 (E_RNA)
where:
Base-Base interactions energy: -46.604
where: short stacking energy: -34.342
Base-Backbone interact. energy: 0.075
local terms energy: -53.813999
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -88.661481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.661481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.661481 (E_RNA)
where:
Base-Base interactions energy: -37.874
where: short stacking energy: -26.037
Base-Backbone interact. energy: -0.805
local terms energy: -49.981874
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -1.065
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: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -83.468290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.468290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.468290 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -20.245
Base-Backbone interact. energy: -0.241
local terms energy: -39.180695
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -0.468
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -91.606949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606949 (E_RNA)
where:
Base-Base interactions energy: -33.610
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.037
local terms energy: -57.960289
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -237.431261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.431261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.431261 (E_RNA)
where:
Base-Base interactions energy: -154.660
where: short stacking energy: -77.379
Base-Backbone interact. energy: -0.011
local terms energy: -82.759790
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -232.441931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.441931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.441931 (E_RNA)
where:
Base-Base interactions energy: -158.433
where: short stacking energy: -73.240
Base-Backbone interact. energy: -0.682
local terms energy: -73.326537
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -207.326080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.326080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.326080 (E_RNA)
where:
Base-Base interactions energy: -124.739
where: short stacking energy: -60.050
Base-Backbone interact. energy: -0.020
local terms energy: -82.567187
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -18.954
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: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -182.202414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.202414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.202414 (E_RNA)
where:
Base-Base interactions energy: -116.281
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.250
local terms energy: -65.672289
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -188.087148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.087148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.087148 (E_RNA)
where:
Base-Base interactions energy: -115.705
where: short stacking energy: -54.360
Base-Backbone interact. energy: -0.184
local terms energy: -72.198325
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -11.560
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: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -171.105292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.105292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.105292 (E_RNA)
where:
Base-Base interactions energy: -111.608
where: short stacking energy: -48.866
Base-Backbone interact. energy: 0.634
local terms energy: -60.131335
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -80.655077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.655077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.655077 (E_RNA)
where:
Base-Base interactions energy: -25.536
where: short stacking energy: -15.131
Base-Backbone interact. energy: -1.255
local terms energy: -53.864179
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -87.065825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065825 (E_RNA)
where:
Base-Base interactions energy: -38.893
where: short stacking energy: -37.877
Base-Backbone interact. energy: -0.094
local terms energy: -48.078582
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -2.283
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -80.799698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.799698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.799698 (E_RNA)
where:
Base-Base interactions energy: -36.119
where: short stacking energy: -16.944
Base-Backbone interact. energy: -0.002
local terms energy: -44.678957
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -6.283
flat angles P-C4'-P energy: -2.273
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -72.097679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.097679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.097679 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -25.713
Base-Backbone interact. energy: 2.017
local terms energy: -49.100988
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: 0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -231.136546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.136546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.136546 (E_RNA)
where:
Base-Base interactions energy: -149.292
where: short stacking energy: -73.858
Base-Backbone interact. energy: -0.043
local terms energy: -81.801313
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -222.821593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.821593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.821593 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.001
local terms energy: -62.674161
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -219.973149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.973149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.973149 (E_RNA)
where:
Base-Base interactions energy: -149.063
where: short stacking energy: -58.461
Base-Backbone interact. energy: -0.041
local terms energy: -70.868863
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -205.289166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.289166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289166 (E_RNA)
where:
Base-Base interactions energy: -128.329
where: short stacking energy: -68.904
Base-Backbone interact. energy: -0.009
local terms energy: -76.950861
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -177.588727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.588727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.588727 (E_RNA)
where:
Base-Base interactions energy: -110.735
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.093
local terms energy: -66.761416
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -9.080
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: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -167.846956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.846956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.846956 (E_RNA)
where:
Base-Base interactions energy: -100.927
where: short stacking energy: -42.239
Base-Backbone interact. energy: 1.354
local terms energy: -68.273386
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -86.688665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.688665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.688665 (E_RNA)
where:
Base-Base interactions energy: -40.730
where: short stacking energy: -25.654
Base-Backbone interact. energy: -0.222
local terms energy: -45.736999
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -81.035930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.035930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.035930 (E_RNA)
where:
Base-Base interactions energy: -36.653
where: short stacking energy: -33.397
Base-Backbone interact. energy: 0.240
local terms energy: -44.622391
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -77.484380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.484380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.484380 (E_RNA)
where:
Base-Base interactions energy: -22.007
where: short stacking energy: -21.832
Base-Backbone interact. energy: -0.868
local terms energy: -54.609492
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.630483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.630483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.630483 (E_RNA)
where:
Base-Base interactions energy: -24.988
where: short stacking energy: -21.121
Base-Backbone interact. energy: -0.108
local terms energy: -52.534432
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -230.881287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.881287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.881287 (E_RNA)
where:
Base-Base interactions energy: -157.111
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.335
local terms energy: -73.435129
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -20.692
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: 429
Temperature: 0.950000
Total energy: -233.533846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.533846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.533846 (E_RNA)
where:
Base-Base interactions energy: -167.087
where: short stacking energy: -75.692
Base-Backbone interact. energy: -0.000
local terms energy: -66.446383
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -224.180086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.180086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.180086 (E_RNA)
where:
Base-Base interactions energy: -154.877
where: short stacking energy: -73.114
Base-Backbone interact. energy: 0.128
local terms energy: -69.430869
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.893
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: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -187.158124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.158124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.158124 (E_RNA)
where:
Base-Base interactions energy: -124.200
where: short stacking energy: -58.847
Base-Backbone interact. energy: -0.251
local terms energy: -62.706545
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -181.370133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.370133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.370133 (E_RNA)
where:
Base-Base interactions energy: -107.168
where: short stacking energy: -50.450
Base-Backbone interact. energy: 0.148
local terms energy: -74.349635
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -173.674635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.674635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.674635 (E_RNA)
where:
Base-Base interactions energy: -104.474
where: short stacking energy: -53.604
Base-Backbone interact. energy: -0.050
local terms energy: -69.150771
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -10.327
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: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -89.188776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.188776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.188776 (E_RNA)
where:
Base-Base interactions energy: -33.761
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.085
local terms energy: -55.341934
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -9.697
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: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -89.937376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.937376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.937376 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -34.936
Base-Backbone interact. energy: -0.177
local terms energy: -54.824238
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -83.924531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.924531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.924531 (E_RNA)
where:
Base-Base interactions energy: -44.953
where: short stacking energy: -36.754
Base-Backbone interact. energy: 2.219
local terms energy: -41.190016
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -0.274
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: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -77.810510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.810510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.810510 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -33.208
Base-Backbone interact. energy: -0.092
local terms energy: -41.951144
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -6.630
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: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -232.381724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.381724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.381724 (E_RNA)
where:
Base-Base interactions energy: -157.480
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.251
local terms energy: -74.650976
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -229.032981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.032981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.032981 (E_RNA)
where:
Base-Base interactions energy: -154.033
where: short stacking energy: -75.570
Base-Backbone interact. energy: 0.950
local terms energy: -75.950512
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -13.696
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: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -229.373713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.373713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.373713 (E_RNA)
where:
Base-Base interactions energy: -154.127
where: short stacking energy: -74.921
Base-Backbone interact. energy: -0.001
local terms energy: -75.245537
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -20.598
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -194.979047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.979047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.979047 (E_RNA)
where:
Base-Base interactions energy: -126.500
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.007
local terms energy: -68.471466
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -18.176
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: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -175.689386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.689386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.689386 (E_RNA)
where:
Base-Base interactions energy: -108.939
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.180
local terms energy: -66.571267
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -172.088163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.088163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.088163 (E_RNA)
where:
Base-Base interactions energy: -105.926
where: short stacking energy: -47.026
Base-Backbone interact. energy: -1.655
local terms energy: -64.507407
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -86.817770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.817770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.817770 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -34.111
Base-Backbone interact. energy: -0.163
local terms energy: -52.543611
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -88.363104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.363104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.363104 (E_RNA)
where:
Base-Base interactions energy: -40.735
where: short stacking energy: -30.385
Base-Backbone interact. energy: -0.183
local terms energy: -47.444609
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -79.698401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.698401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.698401 (E_RNA)
where:
Base-Base interactions energy: -26.102
where: short stacking energy: -26.102
Base-Backbone interact. energy: -0.113
local terms energy: -53.482600
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -77.891653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.891653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.891653 (E_RNA)
where:
Base-Base interactions energy: -27.748
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.296
local terms energy: -49.848416
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -237.918872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.918872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.918872 (E_RNA)
where:
Base-Base interactions energy: -155.790
where: short stacking energy: -80.114
Base-Backbone interact. energy: -0.002
local terms energy: -82.126825
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -226.660508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.660508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.660508 (E_RNA)
where:
Base-Base interactions energy: -147.341
where: short stacking energy: -73.965
Base-Backbone interact. energy: -0.372
local terms energy: -78.947266
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -23.506
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: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -226.832080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.832080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.832080 (E_RNA)
where:
Base-Base interactions energy: -154.514
where: short stacking energy: -77.275
Base-Backbone interact. energy: 0.057
local terms energy: -72.375092
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -199.888191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.888191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.888191 (E_RNA)
where:
Base-Base interactions energy: -129.702
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.046
local terms energy: -70.140350
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -9.825
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: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -206.472337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.472337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.472337 (E_RNA)
where:
Base-Base interactions energy: -133.661
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.001
local terms energy: -72.810079
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -9.568
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: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -185.959439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.959439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.959439 (E_RNA)
where:
Base-Base interactions energy: -118.103
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.094
local terms energy: -67.762666
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -9.236
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -88.400511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.400511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.400511 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -19.105
Base-Backbone interact. energy: -0.009
local terms energy: -55.586749
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -86.514884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.514884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.514884 (E_RNA)
where:
Base-Base interactions energy: -25.982
where: short stacking energy: -20.798
Base-Backbone interact. energy: -0.305
local terms energy: -60.228101
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -2.425
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: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -92.379390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.379390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.379390 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.075
local terms energy: -55.185161
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -8.985
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: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -79.948282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.948282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.948282 (E_RNA)
where:
Base-Base interactions energy: -34.305
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.911
local terms energy: -44.732419
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -236.643029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.643029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.643029 (E_RNA)
where:
Base-Base interactions energy: -153.940
where: short stacking energy: -69.809
Base-Backbone interact. energy: -0.364
local terms energy: -82.339301
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -23.399
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: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -233.331674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.331674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.331674 (E_RNA)
where:
Base-Base interactions energy: -155.482
where: short stacking energy: -72.620
Base-Backbone interact. energy: -0.002
local terms energy: -77.847208
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -206.010342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.010342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.010342 (E_RNA)
where:
Base-Base interactions energy: -130.181
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.005
local terms energy: -75.824235
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -196.079645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.079645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.079645 (E_RNA)
where:
Base-Base interactions energy: -120.654
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.012
local terms energy: -75.413609
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -179.674032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.674032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.674032 (E_RNA)
where:
Base-Base interactions energy: -122.514
where: short stacking energy: -55.195
Base-Backbone interact. energy: 0.040
local terms energy: -57.200813
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -204.236950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.236950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.236950 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.044
local terms energy: -69.655330
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -83.644377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.644377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.644377 (E_RNA)
where:
Base-Base interactions energy: -24.414
where: short stacking energy: -22.860
Base-Backbone interact. energy: -0.229
local terms energy: -59.001453
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -7.085
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: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -79.076374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.076374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.076374 (E_RNA)
where:
Base-Base interactions energy: -30.536
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.152
local terms energy: -48.388383
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -2.673
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: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -91.933124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.933124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.933124 (E_RNA)
where:
Base-Base interactions energy: -29.079
where: short stacking energy: -27.944
Base-Backbone interact. energy: -0.315
local terms energy: -62.538968
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -78.284989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.284989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.284989 (E_RNA)
where:
Base-Base interactions energy: -26.517
where: short stacking energy: -26.517
Base-Backbone interact. energy: -0.010
local terms energy: -51.758393
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -228.943536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.943536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.943536 (E_RNA)
where:
Base-Base interactions energy: -151.396
where: short stacking energy: -69.131
Base-Backbone interact. energy: -0.000
local terms energy: -77.547153
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -233.375211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.375211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.375211 (E_RNA)
where:
Base-Base interactions energy: -149.509
where: short stacking energy: -78.754
Base-Backbone interact. energy: -0.015
local terms energy: -83.851017
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -22.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -184.464607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.464607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.464607 (E_RNA)
where:
Base-Base interactions energy: -117.123
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.508
local terms energy: -66.833352
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -192.377673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.377673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.377673 (E_RNA)
where:
Base-Base interactions energy: -120.231
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.103
local terms energy: -72.043764
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -10.214
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: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -177.031594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.031594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.031594 (E_RNA)
where:
Base-Base interactions energy: -110.237
where: short stacking energy: -57.417
Base-Backbone interact. energy: -0.043
local terms energy: -66.752258
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -193.526751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.526751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.526751 (E_RNA)
where:
Base-Base interactions energy: -124.372
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.001
local terms energy: -69.153870
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -91.597744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.597744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.597744 (E_RNA)
where:
Base-Base interactions energy: -40.740
where: short stacking energy: -21.667
Base-Backbone interact. energy: 0.150
local terms energy: -51.008273
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -99.868256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.868256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.868256 (E_RNA)
where:
Base-Base interactions energy: -51.718
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.168
local terms energy: -47.982520
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -9.078
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: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -114.760431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.760431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.760431 (E_RNA)
where:
Base-Base interactions energy: -70.719
where: short stacking energy: -30.049
Base-Backbone interact. energy: 0.733
local terms energy: -44.774121
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -7.430
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: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -77.334897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.334897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.334897 (E_RNA)
where:
Base-Base interactions energy: -24.050
where: short stacking energy: -23.240
Base-Backbone interact. energy: -0.259
local terms energy: -53.025892
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -7.658
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -239.457576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.457576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.457576 (E_RNA)
where:
Base-Base interactions energy: -161.838
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.008
local terms energy: -77.612351
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -235.830072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.830072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.830072 (E_RNA)
where:
Base-Base interactions energy: -157.956
where: short stacking energy: -74.548
Base-Backbone interact. energy: -0.001
local terms energy: -77.873047
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -23.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -230.441762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.441762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.441762 (E_RNA)
where:
Base-Base interactions energy: -151.383
where: short stacking energy: -73.807
Base-Backbone interact. energy: -0.001
local terms energy: -79.057037
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -179.548135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.548135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.548135 (E_RNA)
where:
Base-Base interactions energy: -116.231
where: short stacking energy: -59.872
Base-Backbone interact. energy: -0.037
local terms energy: -63.280312
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -174.467868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.467868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.467868 (E_RNA)
where:
Base-Base interactions energy: -104.237
where: short stacking energy: -54.792
Base-Backbone interact. energy: 0.665
local terms energy: -70.895274
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -11.167
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: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -160.961968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.961968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.961968 (E_RNA)
where:
Base-Base interactions energy: -102.857
where: short stacking energy: -45.609
Base-Backbone interact. energy: -0.071
local terms energy: -58.034106
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -99.951465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.951465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.951465 (E_RNA)
where:
Base-Base interactions energy: -42.407
where: short stacking energy: -29.255
Base-Backbone interact. energy: -0.168
local terms energy: -57.376134
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -91.608901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.608901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.608901 (E_RNA)
where:
Base-Base interactions energy: -52.144
where: short stacking energy: -38.136
Base-Backbone interact. energy: -0.088
local terms energy: -39.376495
where:
bonds (distance) C4'-P energy: -7.030
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -3.868
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: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -84.780544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.780544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.780544 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -29.093
Base-Backbone interact. energy: -0.121
local terms energy: -44.441850
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -78.193362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.193362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.193362 (E_RNA)
where:
Base-Base interactions energy: -32.748
where: short stacking energy: -20.691
Base-Backbone interact. energy: -0.293
local terms energy: -45.152257
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -234.118321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.118321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.118321 (E_RNA)
where:
Base-Base interactions energy: -156.404
where: short stacking energy: -72.174
Base-Backbone interact. energy: -0.691
local terms energy: -77.023031
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -21.138
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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -232.282639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.282639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.282639 (E_RNA)
where:
Base-Base interactions energy: -157.560
where: short stacking energy: -70.129
Base-Backbone interact. energy: 0.150
local terms energy: -74.872659
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -226.320625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.320625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.320625 (E_RNA)
where:
Base-Base interactions energy: -157.179
where: short stacking energy: -70.028
Base-Backbone interact. energy: -0.243
local terms energy: -68.898992
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -17.362
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: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -192.022575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.022575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.022575 (E_RNA)
where:
Base-Base interactions energy: -118.293
where: short stacking energy: -58.837
Base-Backbone interact. energy: 2.640
local terms energy: -76.369080
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -170.609447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.609447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.609447 (E_RNA)
where:
Base-Base interactions energy: -106.841
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.532
local terms energy: -63.236956
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -9.823
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: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -130.036494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.036494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.036494 (E_RNA)
where:
Base-Base interactions energy: -68.148
where: short stacking energy: -36.804
Base-Backbone interact. energy: -0.138
local terms energy: -61.749822
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -81.866753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866753 (E_RNA)
where:
Base-Base interactions energy: -27.239
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.030
local terms energy: -54.597345
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -83.304704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.304704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.304704 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -25.217
Base-Backbone interact. energy: -0.101
local terms energy: -53.810082
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -90.998113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.998113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.998113 (E_RNA)
where:
Base-Base interactions energy: -41.764
where: short stacking energy: -20.844
Base-Backbone interact. energy: 0.155
local terms energy: -49.388323
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.948
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: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -70.049149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.049149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.049149 (E_RNA)
where:
Base-Base interactions energy: -17.791
where: short stacking energy: -9.789
Base-Backbone interact. energy: -0.035
local terms energy: -52.223324
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: 2.628
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: 436
Temperature: 0.900000
Total energy: -236.942336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.942336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.942336 (E_RNA)
where:
Base-Base interactions energy: -158.960
where: short stacking energy: -73.679
Base-Backbone interact. energy: -0.137
local terms energy: -77.845730
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -216.456379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.456379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.456379 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.102
local terms energy: -70.688438
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -189.031621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.031621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.031621 (E_RNA)
where:
Base-Base interactions energy: -115.339
where: short stacking energy: -53.824
Base-Backbone interact. energy: 0.476
local terms energy: -74.168278
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -9.863
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: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -208.023846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.023846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.023846 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.193
local terms energy: -68.852900
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -176.219622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.219622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.219622 (E_RNA)
where:
Base-Base interactions energy: -113.901
where: short stacking energy: -50.086
Base-Backbone interact. energy: -0.513
local terms energy: -61.805841
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -126.265586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.265586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.265586 (E_RNA)
where:
Base-Base interactions energy: -62.876
where: short stacking energy: -38.193
Base-Backbone interact. energy: -1.298
local terms energy: -62.091854
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -6.890
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: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -87.315685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.315685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.315685 (E_RNA)
where:
Base-Base interactions energy: -29.332
where: short stacking energy: -29.332
Base-Backbone interact. energy: 0.176
local terms energy: -58.159694
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -75.371560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.371560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.371560 (E_RNA)
where:
Base-Base interactions energy: -25.840
where: short stacking energy: -18.234
Base-Backbone interact. energy: -0.389
local terms energy: -49.142121
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -77.972374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.972374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.972374 (E_RNA)
where:
Base-Base interactions energy: -40.152
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.411
local terms energy: -37.409368
where:
bonds (distance) C4'-P energy: -7.343
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -5.097
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: 436
Temperature: 1.350000
Total energy: -78.689939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.689939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.689939 (E_RNA)
where:
Base-Base interactions energy: -24.833
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.280
local terms energy: -53.576229
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -232.015358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.015358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.015358 (E_RNA)
where:
Base-Base interactions energy: -153.720
where: short stacking energy: -76.624
Base-Backbone interact. energy: -0.285
local terms energy: -78.010639
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -224.752800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.752800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.752800 (E_RNA)
where:
Base-Base interactions energy: -152.563
where: short stacking energy: -71.105
Base-Backbone interact. energy: -0.031
local terms energy: -72.158708
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -173.702538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.702538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.702538 (E_RNA)
where:
Base-Base interactions energy: -106.537
where: short stacking energy: -50.170
Base-Backbone interact. energy: -0.211
local terms energy: -66.954993
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -224.054997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.054997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.054997 (E_RNA)
where:
Base-Base interactions energy: -149.406
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.228
local terms energy: -74.421088
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -17.339
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: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -175.042885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.042885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.042885 (E_RNA)
where:
Base-Base interactions energy: -102.926
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.034
local terms energy: -72.083122
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -159.799370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.799370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.799370 (E_RNA)
where:
Base-Base interactions energy: -94.226
where: short stacking energy: -45.080
Base-Backbone interact. energy: -0.168
local terms energy: -65.405285
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -85.354459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.354459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.354459 (E_RNA)
where:
Base-Base interactions energy: -30.400
where: short stacking energy: -30.400
Base-Backbone interact. energy: -0.064
local terms energy: -54.890338
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -76.818867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.818867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.818867 (E_RNA)
where:
Base-Base interactions energy: -20.334
where: short stacking energy: -19.998
Base-Backbone interact. energy: -0.061
local terms energy: -56.423373
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -80.234989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.234989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.234989 (E_RNA)
where:
Base-Base interactions energy: -34.398
where: short stacking energy: -25.475
Base-Backbone interact. energy: -0.287
local terms energy: -45.549322
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -5.556
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -79.489811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.489811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.489811 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -27.500
Base-Backbone interact. energy: -1.393
local terms energy: -48.261168
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -231.312966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.312966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.312966 (E_RNA)
where:
Base-Base interactions energy: -158.626
where: short stacking energy: -71.200
Base-Backbone interact. energy: -0.415
local terms energy: -72.272218
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -226.723016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.723016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.723016 (E_RNA)
where:
Base-Base interactions energy: -154.737
where: short stacking energy: -75.492
Base-Backbone interact. energy: -0.006
local terms energy: -71.979845
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -221.408590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.408590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.408590 (E_RNA)
where:
Base-Base interactions energy: -144.535
where: short stacking energy: -73.368
Base-Backbone interact. energy: -0.001
local terms energy: -76.871815
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -182.386830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.386830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.386830 (E_RNA)
where:
Base-Base interactions energy: -112.949
where: short stacking energy: -59.665
Base-Backbone interact. energy: -0.013
local terms energy: -69.424809
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -11.395
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: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -172.607114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.607114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.607114 (E_RNA)
where:
Base-Base interactions energy: -107.372
where: short stacking energy: -49.892
Base-Backbone interact. energy: -0.095
local terms energy: -65.139410
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -162.858872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.858872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.858872 (E_RNA)
where:
Base-Base interactions energy: -93.364
where: short stacking energy: -46.978
Base-Backbone interact. energy: -0.603
local terms energy: -68.892021
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -97.411140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.411140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.411140 (E_RNA)
where:
Base-Base interactions energy: -43.022
where: short stacking energy: -41.761
Base-Backbone interact. energy: -0.014
local terms energy: -54.375184
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -94.089751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.089751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.089751 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -42.418
Base-Backbone interact. energy: -0.089
local terms energy: -50.346723
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -82.276045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.276045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.276045 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -26.229
Base-Backbone interact. energy: -0.193
local terms energy: -42.447781
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -2.955
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -86.914781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.914781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.914781 (E_RNA)
where:
Base-Base interactions energy: -35.007
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.272
local terms energy: -51.636261
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -10.650
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: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -234.390646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.390646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.390646 (E_RNA)
where:
Base-Base interactions energy: -165.574
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.648
local terms energy: -68.168630
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -218.989731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.989731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.989731 (E_RNA)
where:
Base-Base interactions energy: -140.631
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.048
local terms energy: -78.310698
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -8.547
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: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -220.941331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.941331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.941331 (E_RNA)
where:
Base-Base interactions energy: -141.950
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.001
local terms energy: -78.990609
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -181.328262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.328262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.328262 (E_RNA)
where:
Base-Base interactions energy: -107.275
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.143
local terms energy: -73.910995
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.609
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: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -184.177603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.177603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.177603 (E_RNA)
where:
Base-Base interactions energy: -109.316
where: short stacking energy: -50.364
Base-Backbone interact. energy: -0.068
local terms energy: -74.793444
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -7.198
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: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -172.999571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.999571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.999571 (E_RNA)
where:
Base-Base interactions energy: -107.579
where: short stacking energy: -46.208
Base-Backbone interact. energy: -0.316
local terms energy: -65.104121
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -106.663836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.663836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.663836 (E_RNA)
where:
Base-Base interactions energy: -44.453
where: short stacking energy: -44.453
Base-Backbone interact. energy: 0.681
local terms energy: -62.892383
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -94.542490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.542490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.542490 (E_RNA)
where:
Base-Base interactions energy: -35.876
where: short stacking energy: -35.876
Base-Backbone interact. energy: -0.038
local terms energy: -58.628623
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -9.437
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: 439
Temperature: 1.300000
Total energy: -89.674753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.674753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.674753 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.147
local terms energy: -47.920860
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -74.107754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.107754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.107754 (E_RNA)
where:
Base-Base interactions energy: -27.463
where: short stacking energy: -21.996
Base-Backbone interact. energy: -0.141
local terms energy: -46.503822
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: 0.562
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: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -234.785889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.785889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.785889 (E_RNA)
where:
Base-Base interactions energy: -155.037
where: short stacking energy: -76.537
Base-Backbone interact. energy: -0.007
local terms energy: -79.742428
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -12.627
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: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -230.551928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.551928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.551928 (E_RNA)
where:
Base-Base interactions energy: -152.087
where: short stacking energy: -75.932
Base-Backbone interact. energy: -0.001
local terms energy: -78.464061
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -221.388542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.388542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.388542 (E_RNA)
where:
Base-Base interactions energy: -148.431
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.003
local terms energy: -72.954406
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -201.682657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.682657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.682657 (E_RNA)
where:
Base-Base interactions energy: -128.200
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.410
local terms energy: -73.072299
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -179.526620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.526620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.526620 (E_RNA)
where:
Base-Base interactions energy: -114.328
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.187
local terms energy: -65.012492
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -193.322093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.322093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.322093 (E_RNA)
where:
Base-Base interactions energy: -129.748
where: short stacking energy: -64.278
Base-Backbone interact. energy: -0.092
local terms energy: -63.482785
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -14.787
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: 440
Temperature: 1.200000
Total energy: -84.654026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.654026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.654026 (E_RNA)
where:
Base-Base interactions energy: -26.614
where: short stacking energy: -26.614
Base-Backbone interact. energy: -0.051
local terms energy: -57.989472
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -10.938
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: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -98.518618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.518618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.518618 (E_RNA)
where:
Base-Base interactions energy: -44.836
where: short stacking energy: -32.657
Base-Backbone interact. energy: -0.135
local terms energy: -53.547183
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -7.654
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -83.103354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.103354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.103354 (E_RNA)
where:
Base-Base interactions energy: -30.110
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.160
local terms energy: -52.832768
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -5.695
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: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -78.619780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619780 (E_RNA)
where:
Base-Base interactions energy: -26.791
where: short stacking energy: -26.791
Base-Backbone interact. energy: -0.094
local terms energy: -51.734611
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -232.387050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.387050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.387050 (E_RNA)
where:
Base-Base interactions energy: -153.066
where: short stacking energy: -71.554
Base-Backbone interact. energy: -0.123
local terms energy: -79.198502
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -225.909614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.909614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.909614 (E_RNA)
where:
Base-Base interactions energy: -148.525
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.076
local terms energy: -77.308286
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -229.760494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.760494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.760494 (E_RNA)
where:
Base-Base interactions energy: -153.998
where: short stacking energy: -72.616
Base-Backbone interact. energy: -0.282
local terms energy: -75.480598
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -199.460057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.460057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.460057 (E_RNA)
where:
Base-Base interactions energy: -124.697
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.154
local terms energy: -74.609162
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -15.515
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: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -174.189279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.189279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.189279 (E_RNA)
where:
Base-Base interactions energy: -107.812
where: short stacking energy: -49.153
Base-Backbone interact. energy: -0.743
local terms energy: -65.634517
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -173.111827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.111827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.111827 (E_RNA)
where:
Base-Base interactions energy: -113.446
where: short stacking energy: -52.648
Base-Backbone interact. energy: -0.145
local terms energy: -59.520857
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -12.044
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: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -90.036029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.036029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.036029 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -23.310
Base-Backbone interact. energy: -0.092
local terms energy: -55.895673
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -87.602770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.602770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.602770 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.083
local terms energy: -46.529780
where:
bonds (distance) C4'-P energy: -7.430
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -81.682936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.682936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.682936 (E_RNA)
where:
Base-Base interactions energy: -32.133
where: short stacking energy: -32.133
Base-Backbone interact. energy: -0.015
local terms energy: -49.534800
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -71.002027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.002027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.002027 (E_RNA)
where:
Base-Base interactions energy: -26.464
where: short stacking energy: -17.342
Base-Backbone interact. energy: -0.233
local terms energy: -44.304926
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -232.404300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.404300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.404300 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -73.448
Base-Backbone interact. energy: 2.099
local terms energy: -81.732515
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -234.325664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.325664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.325664 (E_RNA)
where:
Base-Base interactions energy: -156.283
where: short stacking energy: -74.215
Base-Backbone interact. energy: -0.138
local terms energy: -77.904461
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -196.847714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.847714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.847714 (E_RNA)
where:
Base-Base interactions energy: -123.639
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.080
local terms energy: -73.128197
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -215.855093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.855093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.855093 (E_RNA)
where:
Base-Base interactions energy: -146.935
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.482
local terms energy: -68.438205
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -10.683
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: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -179.998443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.998443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.998443 (E_RNA)
where:
Base-Base interactions energy: -118.755
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.029
local terms energy: -61.214318
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -172.007278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.007278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.007278 (E_RNA)
where:
Base-Base interactions energy: -109.716
where: short stacking energy: -53.007
Base-Backbone interact. energy: 0.993
local terms energy: -63.284512
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.838
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: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -87.064978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064978 (E_RNA)
where:
Base-Base interactions energy: -36.795
where: short stacking energy: -36.795
Base-Backbone interact. energy: -0.201
local terms energy: -50.069262
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -5.368
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: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -88.095432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.095432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.095432 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.088
local terms energy: -61.244160
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -3.332
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: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -97.331401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.331401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.331401 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -32.363
Base-Backbone interact. energy: -0.004
local terms energy: -52.647640
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -83.195155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.195155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.195155 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.152
local terms energy: -54.986037
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.352
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: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -232.403375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.403375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.403375 (E_RNA)
where:
Base-Base interactions energy: -153.517
where: short stacking energy: -78.533
Base-Backbone interact. energy: -0.003
local terms energy: -78.882803
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.561
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -212.073129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.073129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.073129 (E_RNA)
where:
Base-Base interactions energy: -139.145
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.382
local terms energy: -72.546254
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -218.876328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.876328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.876328 (E_RNA)
where:
Base-Base interactions energy: -146.609
where: short stacking energy: -70.803
Base-Backbone interact. energy: 1.514
local terms energy: -73.781255
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -199.571456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.571456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.571456 (E_RNA)
where:
Base-Base interactions energy: -130.031
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.099
local terms energy: -69.441934
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -9.425
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: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -175.520569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.520569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.520569 (E_RNA)
where:
Base-Base interactions energy: -111.788
where: short stacking energy: -59.277
Base-Backbone interact. energy: -0.019
local terms energy: -63.713930
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -6.932
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: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -169.005541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.005541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.005541 (E_RNA)
where:
Base-Base interactions energy: -99.991
where: short stacking energy: -47.545
Base-Backbone interact. energy: -0.021
local terms energy: -68.993275
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -13.764
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: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -89.027542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.027542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.027542 (E_RNA)
where:
Base-Base interactions energy: -37.734
where: short stacking energy: -37.438
Base-Backbone interact. energy: -0.206
local terms energy: -51.087143
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -111.985874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.985874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.985874 (E_RNA)
where:
Base-Base interactions energy: -58.750
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.241
local terms energy: -52.995193
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -5.455
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -85.715823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.715823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.715823 (E_RNA)
where:
Base-Base interactions energy: -32.424
where: short stacking energy: -32.424
Base-Backbone interact. energy: -0.128
local terms energy: -53.164291
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -7.038
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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -68.887410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.887410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.887410 (E_RNA)
where:
Base-Base interactions energy: -22.108
where: short stacking energy: -16.004
Base-Backbone interact. energy: -0.471
local terms energy: -46.308558
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: 1.438
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: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -217.179721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.179721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.179721 (E_RNA)
where:
Base-Base interactions energy: -139.917
where: short stacking energy: -69.661
Base-Backbone interact. energy: -0.005
local terms energy: -77.257830
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -231.341971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.341971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.341971 (E_RNA)
where:
Base-Base interactions energy: -155.051
where: short stacking energy: -75.465
Base-Backbone interact. energy: -0.122
local terms energy: -76.168903
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -221.108776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.108776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.108776 (E_RNA)
where:
Base-Base interactions energy: -146.170
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.425
local terms energy: -74.513764
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -194.305536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.305536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.305536 (E_RNA)
where:
Base-Base interactions energy: -124.684
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.600
local terms energy: -69.022178
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -170.301214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.301214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.301214 (E_RNA)
where:
Base-Base interactions energy: -103.914
where: short stacking energy: -46.080
Base-Backbone interact. energy: 1.155
local terms energy: -67.541781
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -164.926115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.926115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.926115 (E_RNA)
where:
Base-Base interactions energy: -108.227
where: short stacking energy: -46.213
Base-Backbone interact. energy: -0.084
local terms energy: -56.615145
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -109.571501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.571501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.571501 (E_RNA)
where:
Base-Base interactions energy: -59.275
where: short stacking energy: -31.645
Base-Backbone interact. energy: 1.731
local terms energy: -52.026963
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -4.931
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: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -93.842503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842503 (E_RNA)
where:
Base-Base interactions energy: -39.975
where: short stacking energy: -21.438
Base-Backbone interact. energy: -0.109
local terms energy: -53.759191
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -82.671931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.671931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.671931 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -25.614
Base-Backbone interact. energy: -0.093
local terms energy: -56.734180
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -84.199014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.199014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.199014 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.105
local terms energy: -48.835683
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -217.863321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.863321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.863321 (E_RNA)
where:
Base-Base interactions energy: -145.676
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.033
local terms energy: -72.153931
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -229.003320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.003320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.003320 (E_RNA)
where:
Base-Base interactions energy: -156.152
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.293
local terms energy: -72.558635
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -234.536365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.536365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.536365 (E_RNA)
where:
Base-Base interactions energy: -155.699
where: short stacking energy: -77.949
Base-Backbone interact. energy: -0.263
local terms energy: -78.574236
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -22.469
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: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -183.307713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307713 (E_RNA)
where:
Base-Base interactions energy: -112.470
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.021
local terms energy: -70.816015
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -179.173515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.173515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.173515 (E_RNA)
where:
Base-Base interactions energy: -117.874
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.108
local terms energy: -61.190971
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -122.974541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.974541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.974541 (E_RNA)
where:
Base-Base interactions energy: -67.178
where: short stacking energy: -42.113
Base-Backbone interact. energy: 1.521
local terms energy: -57.316876
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -159.871561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.871561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.871561 (E_RNA)
where:
Base-Base interactions energy: -107.383
where: short stacking energy: -44.769
Base-Backbone interact. energy: -0.051
local terms energy: -52.436934
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -90.143667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.143667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.143667 (E_RNA)
where:
Base-Base interactions energy: -39.967
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.087
local terms energy: -50.090386
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -76.824822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824822 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -26.117
Base-Backbone interact. energy: -0.512
local terms energy: -49.864270
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -69.705485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.705485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.705485 (E_RNA)
where:
Base-Base interactions energy: -23.806
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.086
local terms energy: -45.813232
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: 0.367
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: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -232.127262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.127262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.127262 (E_RNA)
where:
Base-Base interactions energy: -162.652
where: short stacking energy: -71.942
Base-Backbone interact. energy: -0.121
local terms energy: -69.354599
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -216.087207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.087207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.087207 (E_RNA)
where:
Base-Base interactions energy: -140.055
where: short stacking energy: -72.842
Base-Backbone interact. energy: -0.025
local terms energy: -76.007215
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -21.388
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -217.575963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575963 (E_RNA)
where:
Base-Base interactions energy: -145.008
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.083
local terms energy: -72.484666
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -179.612415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.612415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.612415 (E_RNA)
where:
Base-Base interactions energy: -111.290
where: short stacking energy: -55.513
Base-Backbone interact. energy: -0.052
local terms energy: -68.270659
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -186.775097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.775097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.775097 (E_RNA)
where:
Base-Base interactions energy: -117.154
where: short stacking energy: -60.141
Base-Backbone interact. energy: -1.539
local terms energy: -68.082004
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -12.337
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: 446
Temperature: 1.150000
Total energy: -123.496528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.496528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.496528 (E_RNA)
where:
Base-Base interactions energy: -63.924
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.474
local terms energy: -59.098533
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -5.142
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -163.245359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.245359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.245359 (E_RNA)
where:
Base-Base interactions energy: -98.711
where: short stacking energy: -44.192
Base-Backbone interact. energy: -0.549
local terms energy: -63.985251
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.780
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: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -85.748934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.748934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.748934 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -21.323
Base-Backbone interact. energy: -0.439
local terms energy: -44.856667
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: 1.402
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: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -78.477064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.477064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.477064 (E_RNA)
where:
Base-Base interactions energy: -34.212
where: short stacking energy: -24.796
Base-Backbone interact. energy: 0.406
local terms energy: -44.671473
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -74.396672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.396672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.396672 (E_RNA)
where:
Base-Base interactions energy: -27.525
where: short stacking energy: -27.525
Base-Backbone interact. energy: 0.874
local terms energy: -47.744728
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -7.262
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: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -236.049454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.049454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.049454 (E_RNA)
where:
Base-Base interactions energy: -164.085
where: short stacking energy: -76.952
Base-Backbone interact. energy: -0.001
local terms energy: -71.962800
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -234.204139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.204139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.204139 (E_RNA)
where:
Base-Base interactions energy: -154.448
where: short stacking energy: -75.614
Base-Backbone interact. energy: -0.003
local terms energy: -79.752800
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -22.939
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: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -209.458947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.458947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.458947 (E_RNA)
where:
Base-Base interactions energy: -131.087
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.116
local terms energy: -78.255789
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -217.590898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.590898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.590898 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -63.238
Base-Backbone interact. energy: -0.617
local terms energy: -70.361828
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -170.600267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.600267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.600267 (E_RNA)
where:
Base-Base interactions energy: -110.684
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.426
local terms energy: -59.490906
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -131.282431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.282431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.282431 (E_RNA)
where:
Base-Base interactions energy: -71.877
where: short stacking energy: -47.262
Base-Backbone interact. energy: -0.710
local terms energy: -58.695256
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -105.510672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.510672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.510672 (E_RNA)
where:
Base-Base interactions energy: -53.848
where: short stacking energy: -24.481
Base-Backbone interact. energy: -0.637
local terms energy: -51.024847
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 0.331
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: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -90.619812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.619812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.619812 (E_RNA)
where:
Base-Base interactions energy: -42.266
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.072
local terms energy: -48.281961
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -2.150
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -75.797094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.797094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.797094 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -21.998
Base-Backbone interact. energy: -0.180
local terms energy: -48.710096
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -74.109464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.109464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.109464 (E_RNA)
where:
Base-Base interactions energy: -31.985
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.216
local terms energy: -41.908449
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -7.788
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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -238.108604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.108604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.108604 (E_RNA)
where:
Base-Base interactions energy: -156.952
where: short stacking energy: -75.188
Base-Backbone interact. energy: -0.097
local terms energy: -81.059041
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -232.168265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.168265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.168265 (E_RNA)
where:
Base-Base interactions energy: -155.163
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.001
local terms energy: -77.004388
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -203.906866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.906866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.906866 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.008
local terms energy: -68.973454
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.618
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: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -206.463897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.463897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.463897 (E_RNA)
where:
Base-Base interactions energy: -135.450
where: short stacking energy: -63.522
Base-Backbone interact. energy: -0.010
local terms energy: -71.003527
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -19.407
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: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -172.699217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.699217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.699217 (E_RNA)
where:
Base-Base interactions energy: -108.288
where: short stacking energy: -47.244
Base-Backbone interact. energy: -0.426
local terms energy: -63.985399
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -163.066222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.066222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.066222 (E_RNA)
where:
Base-Base interactions energy: -102.541
where: short stacking energy: -38.423
Base-Backbone interact. energy: -0.169
local terms energy: -60.355604
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -91.280370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.280370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.280370 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -29.174
Base-Backbone interact. energy: -0.005
local terms energy: -53.606177
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -88.913185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.913185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.913185 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -30.644
Base-Backbone interact. energy: -0.152
local terms energy: -55.293777
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -69.551766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.551766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.551766 (E_RNA)
where:
Base-Base interactions energy: -18.389
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.248
local terms energy: -50.914692
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -68.495185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.495185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.495185 (E_RNA)
where:
Base-Base interactions energy: -16.997
where: short stacking energy: -16.997
Base-Backbone interact. energy: -0.087
local terms energy: -51.411130
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -238.242972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.242972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.242972 (E_RNA)
where:
Base-Base interactions energy: -156.374
where: short stacking energy: -72.835
Base-Backbone interact. energy: -0.353
local terms energy: -81.516280
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -9.751
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: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -233.478860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.478860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.478860 (E_RNA)
where:
Base-Base interactions energy: -156.260
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.001
local terms energy: -77.217398
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -230.292517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292517 (E_RNA)
where:
Base-Base interactions energy: -153.763
where: short stacking energy: -69.535
Base-Backbone interact. energy: -0.335
local terms energy: -76.194687
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.267
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: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -205.099923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.099923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.099923 (E_RNA)
where:
Base-Base interactions energy: -142.727
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.136
local terms energy: -62.237450
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.569
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: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -208.089631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.089631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.089631 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.372
local terms energy: -79.204779
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -95.742533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.742533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.742533 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -38.132
Base-Backbone interact. energy: -0.176
local terms energy: -52.436163
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -2.096
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: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -183.976928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.976928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.976928 (E_RNA)
where:
Base-Base interactions energy: -124.804
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.211
local terms energy: -58.962096
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -81.353953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.353953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.353953 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -36.841
Base-Backbone interact. energy: 0.359
local terms energy: -44.871875
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -5.263
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: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -75.513260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.513260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.513260 (E_RNA)
where:
Base-Base interactions energy: -43.999
where: short stacking energy: -19.363
Base-Backbone interact. energy: -0.959
local terms energy: -30.555020
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -3.868
flat angles P-C4'-P energy: 1.339
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -85.673624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.673624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.673624 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -26.501
Base-Backbone interact. energy: -1.138
local terms energy: -53.458271
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.141
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: 450
Temperature: 0.900000
Total energy: -241.075461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.075461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.075461 (E_RNA)
where:
Base-Base interactions energy: -156.936
where: short stacking energy: -72.821
Base-Backbone interact. energy: -0.056
local terms energy: -84.083042
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -234.263522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.263522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.263522 (E_RNA)
where:
Base-Base interactions energy: -154.980
where: short stacking energy: -74.803
Base-Backbone interact. energy: -0.001
local terms energy: -79.282700
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -230.172467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.172467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.172467 (E_RNA)
where:
Base-Base interactions energy: -156.607
where: short stacking energy: -71.646
Base-Backbone interact. energy: -0.057
local terms energy: -73.509095
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -209.603836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.603836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.603836 (E_RNA)
where:
Base-Base interactions energy: -137.897
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.102
local terms energy: -71.604212
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -10.318
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: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -192.668320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.668320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.668320 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -56.675
Base-Backbone interact. energy: -0.431
local terms energy: -70.796316
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -19.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -102.688133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.688133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.688133 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -28.091
Base-Backbone interact. energy: -0.082
local terms energy: -63.919886
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -181.999295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.999295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.999295 (E_RNA)
where:
Base-Base interactions energy: -120.492
where: short stacking energy: -63.230
Base-Backbone interact. energy: -0.015
local terms energy: -61.492111
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -16.600
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: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -91.443362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.443362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.443362 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -30.493
Base-Backbone interact. energy: -0.281
local terms energy: -54.407456
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -81.394186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.394186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.394186 (E_RNA)
where:
Base-Base interactions energy: -23.860
where: short stacking energy: -23.860
Base-Backbone interact. energy: -0.586
local terms energy: -56.947521
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -77.824051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.824051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.824051 (E_RNA)
where:
Base-Base interactions energy: -26.438
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.185
local terms energy: -51.201483
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -231.823261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.823261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.823261 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -71.071
Base-Backbone interact. energy: -0.069
local terms energy: -76.694504
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -7.200
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: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -220.469520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.469520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.469520 (E_RNA)
where:
Base-Base interactions energy: -144.940
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.007
local terms energy: -75.522785
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -225.054786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.054786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.054786 (E_RNA)
where:
Base-Base interactions energy: -149.600
where: short stacking energy: -72.700
Base-Backbone interact. energy: -0.000
local terms energy: -75.454593
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -19.319
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: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -205.925353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.925353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.925353 (E_RNA)
where:
Base-Base interactions energy: -134.417
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.230
local terms energy: -71.277417
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -16.296
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -211.389625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.389625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.389625 (E_RNA)
where:
Base-Base interactions energy: -135.394
where: short stacking energy: -70.949
Base-Backbone interact. energy: -0.005
local terms energy: -75.989857
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -184.347570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.347570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.347570 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -48.810
Base-Backbone interact. energy: -0.063
local terms energy: -65.638716
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -13.594
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: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -96.276759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.276759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.276759 (E_RNA)
where:
Base-Base interactions energy: -33.148
where: short stacking energy: -33.027
Base-Backbone interact. energy: -0.016
local terms energy: -63.112161
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -89.789805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789805 (E_RNA)
where:
Base-Base interactions energy: -27.696
where: short stacking energy: -27.696
Base-Backbone interact. energy: -0.105
local terms energy: -61.988945
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -7.634
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: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -73.506722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.506722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.506722 (E_RNA)
where:
Base-Base interactions energy: -24.212
where: short stacking energy: -17.990
Base-Backbone interact. energy: -0.251
local terms energy: -49.043020
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: 2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -81.615964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.615964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.615964 (E_RNA)
where:
Base-Base interactions energy: -22.085
where: short stacking energy: -18.379
Base-Backbone interact. energy: -0.036
local terms energy: -59.494046
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -4.529
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: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -239.768577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.768577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.768577 (E_RNA)
where:
Base-Base interactions energy: -158.002
where: short stacking energy: -74.649
Base-Backbone interact. energy: -0.006
local terms energy: -81.761112
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -230.410366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.410366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.410366 (E_RNA)
where:
Base-Base interactions energy: -149.294
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.000
local terms energy: -81.116217
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -202.958287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.958287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.958287 (E_RNA)
where:
Base-Base interactions energy: -125.487
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.192
local terms energy: -77.279757
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.104
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: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -223.928412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.928412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.928412 (E_RNA)
where:
Base-Base interactions energy: -157.859
where: short stacking energy: -77.825
Base-Backbone interact. energy: -0.002
local terms energy: -66.066887
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -195.450036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.450036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.450036 (E_RNA)
where:
Base-Base interactions energy: -124.277
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.001
local terms energy: -71.172526
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -194.188921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.188921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.188921 (E_RNA)
where:
Base-Base interactions energy: -139.771
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.127
local terms energy: -54.290786
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -94.703644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.703644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.703644 (E_RNA)
where:
Base-Base interactions energy: -46.409
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.027
local terms energy: -48.267335
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -7.579
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -94.409663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.409663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.409663 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -32.762
Base-Backbone interact. energy: -0.095
local terms energy: -61.552560
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -84.478450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478450 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -33.267
Base-Backbone interact. energy: 0.721
local terms energy: -47.480467
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -9.904
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: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -80.626007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.626007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.626007 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -30.833
Base-Backbone interact. energy: -0.185
local terms energy: -49.174079
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -6.923
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: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -236.194500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.194500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.194500 (E_RNA)
where:
Base-Base interactions energy: -154.385
where: short stacking energy: -71.015
Base-Backbone interact. energy: -0.238
local terms energy: -81.571430
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -230.276941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.276941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.276941 (E_RNA)
where:
Base-Base interactions energy: -158.872
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.257
local terms energy: -71.147691
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -8.812
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: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -204.631558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.631558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.631558 (E_RNA)
where:
Base-Base interactions energy: -132.515
where: short stacking energy: -66.283
Base-Backbone interact. energy: 0.406
local terms energy: -72.522209
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -221.650458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.650458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.650458 (E_RNA)
where:
Base-Base interactions energy: -150.019
where: short stacking energy: -72.662
Base-Backbone interact. energy: -0.001
local terms energy: -71.630555
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -9.162
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: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -197.359733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.359733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.359733 (E_RNA)
where:
Base-Base interactions energy: -125.751
where: short stacking energy: -58.491
Base-Backbone interact. energy: -1.502
local terms energy: -70.106519
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -180.486942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.486942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.486942 (E_RNA)
where:
Base-Base interactions energy: -112.933
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.217
local terms energy: -67.336973
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -96.058275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.058275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.058275 (E_RNA)
where:
Base-Base interactions energy: -43.453
where: short stacking energy: -43.453
Base-Backbone interact. energy: -0.156
local terms energy: -52.449213
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -90.216682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.216682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.216682 (E_RNA)
where:
Base-Base interactions energy: -34.396
where: short stacking energy: -23.222
Base-Backbone interact. energy: -0.264
local terms energy: -55.556688
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -77.190462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.190462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.190462 (E_RNA)
where:
Base-Base interactions energy: -25.614
where: short stacking energy: -25.614
Base-Backbone interact. energy: -0.508
local terms energy: -51.068199
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -67.094227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.094227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.094227 (E_RNA)
where:
Base-Base interactions energy: -23.736
where: short stacking energy: -22.173
Base-Backbone interact. energy: 0.333
local terms energy: -43.691320
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -5.832
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -235.064684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.064684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.064684 (E_RNA)
where:
Base-Base interactions energy: -161.660
where: short stacking energy: -74.782
Base-Backbone interact. energy: -0.367
local terms energy: -73.037568
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -225.206869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.206869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.206869 (E_RNA)
where:
Base-Base interactions energy: -155.079
where: short stacking energy: -71.772
Base-Backbone interact. energy: -0.045
local terms energy: -70.083187
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -197.647235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.647235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.647235 (E_RNA)
where:
Base-Base interactions energy: -121.582
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.696
local terms energy: -75.369558
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -203.950914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.950914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.950914 (E_RNA)
where:
Base-Base interactions energy: -128.500
where: short stacking energy: -65.604
Base-Backbone interact. energy: -0.105
local terms energy: -75.345736
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -165.910905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.910905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.910905 (E_RNA)
where:
Base-Base interactions energy: -104.360
where: short stacking energy: -46.273
Base-Backbone interact. energy: -0.020
local terms energy: -61.530662
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -172.939026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.939026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.939026 (E_RNA)
where:
Base-Base interactions energy: -114.192
where: short stacking energy: -58.039
Base-Backbone interact. energy: -1.390
local terms energy: -57.357051
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -83.929840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929840 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -34.477
Base-Backbone interact. energy: -0.045
local terms energy: -49.407895
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -5.678
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: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -83.662630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.662630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.662630 (E_RNA)
where:
Base-Base interactions energy: -31.393
where: short stacking energy: -22.526
Base-Backbone interact. energy: -0.106
local terms energy: -52.163668
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -76.897591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.897591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.897591 (E_RNA)
where:
Base-Base interactions energy: -32.206
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.771
local terms energy: -43.920458
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -75.336972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.336972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.336972 (E_RNA)
where:
Base-Base interactions energy: -26.765
where: short stacking energy: -19.598
Base-Backbone interact. energy: -0.945
local terms energy: -47.626315
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.305
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: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -238.774164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.774164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.774164 (E_RNA)
where:
Base-Base interactions energy: -156.087
where: short stacking energy: -74.799
Base-Backbone interact. energy: -0.000
local terms energy: -82.687125
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -226.771582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.771582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.771582 (E_RNA)
where:
Base-Base interactions energy: -150.940
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.182
local terms energy: -75.649546
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -199.377762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.377762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.377762 (E_RNA)
where:
Base-Base interactions energy: -130.377
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.136
local terms energy: -68.864974
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -20.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -170.308404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.308404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.308404 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -50.571
Base-Backbone interact. energy: -0.656
local terms energy: -65.857162
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -203.096380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.096380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.096380 (E_RNA)
where:
Base-Base interactions energy: -130.424
where: short stacking energy: -66.082
Base-Backbone interact. energy: -0.001
local terms energy: -72.671310
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -18.584
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -178.576363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.576363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.576363 (E_RNA)
where:
Base-Base interactions energy: -106.870
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.004
local terms energy: -71.703159
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -82.575125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.575125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.575125 (E_RNA)
where:
Base-Base interactions energy: -30.806
where: short stacking energy: -23.059
Base-Backbone interact. energy: -0.592
local terms energy: -51.176627
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -85.358360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.358360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.358360 (E_RNA)
where:
Base-Base interactions energy: -48.390
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.588
local terms energy: -36.380239
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -5.660
flat angles P-C4'-P energy: -3.775
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: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -87.061064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.061064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.061064 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.162
local terms energy: -54.286896
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -9.157
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: 455
Temperature: 1.350000
Total energy: -76.966380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.966380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.966380 (E_RNA)
where:
Base-Base interactions energy: -27.998
where: short stacking energy: -27.998
Base-Backbone interact. energy: -0.021
local terms energy: -48.947371
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -7.618
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -234.816715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.816715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.816715 (E_RNA)
where:
Base-Base interactions energy: -154.904
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.731
local terms energy: -79.181268
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -12.001
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: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -230.079792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.079792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.079792 (E_RNA)
where:
Base-Base interactions energy: -151.966
where: short stacking energy: -73.689
Base-Backbone interact. energy: -0.001
local terms energy: -78.113013
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -204.205632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.205632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.205632 (E_RNA)
where:
Base-Base interactions energy: -133.543
where: short stacking energy: -58.561
Base-Backbone interact. energy: 1.260
local terms energy: -71.923078
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -206.755976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.755976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.755976 (E_RNA)
where:
Base-Base interactions energy: -133.823
where: short stacking energy: -60.382
Base-Backbone interact. energy: -0.178
local terms energy: -72.754573
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -16.551
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -200.530843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.530843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.530843 (E_RNA)
where:
Base-Base interactions energy: -129.488
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.120
local terms energy: -70.923534
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -18.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -193.043727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.043727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.043727 (E_RNA)
where:
Base-Base interactions energy: -128.601
where: short stacking energy: -56.646
Base-Backbone interact. energy: -0.017
local terms energy: -64.425752
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -88.654595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.654595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.654595 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -30.958
Base-Backbone interact. energy: -0.647
local terms energy: -56.989234
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -82.322987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.322987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.322987 (E_RNA)
where:
Base-Base interactions energy: -29.902
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.302
local terms energy: -52.118521
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -89.721299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721299 (E_RNA)
where:
Base-Base interactions energy: -48.050
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.550
local terms energy: -41.120639
where:
bonds (distance) C4'-P energy: -7.401
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -73.426088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.426088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.426088 (E_RNA)
where:
Base-Base interactions energy: -21.337
where: short stacking energy: -8.156
Base-Backbone interact. energy: -0.304
local terms energy: -51.785505
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -235.455492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.455492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.455492 (E_RNA)
where:
Base-Base interactions energy: -151.859
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.006
local terms energy: -83.590870
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -15.150
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: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -207.832556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.832556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.832556 (E_RNA)
where:
Base-Base interactions energy: -133.516
where: short stacking energy: -54.552
Base-Backbone interact. energy: 0.504
local terms energy: -74.820297
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -224.971062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.971062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.971062 (E_RNA)
where:
Base-Base interactions energy: -153.260
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.124
local terms energy: -71.587390
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -225.155526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.155526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.155526 (E_RNA)
where:
Base-Base interactions energy: -153.067
where: short stacking energy: -72.061
Base-Backbone interact. energy: -0.053
local terms energy: -72.035664
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -186.658336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.658336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.658336 (E_RNA)
where:
Base-Base interactions energy: -122.509
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.003
local terms energy: -64.146207
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -197.481532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.481532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.481532 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.444
local terms energy: -68.873869
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -96.149634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.149634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.149634 (E_RNA)
where:
Base-Base interactions energy: -48.261
where: short stacking energy: -45.948
Base-Backbone interact. energy: -0.035
local terms energy: -47.852926
where:
bonds (distance) C4'-P energy: -4.180
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -105.997920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.997920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.997920 (E_RNA)
where:
Base-Base interactions energy: -48.576
where: short stacking energy: -46.540
Base-Backbone interact. energy: -0.554
local terms energy: -56.867856
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -84.777732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777732 (E_RNA)
where:
Base-Base interactions energy: -40.007
where: short stacking energy: -18.194
Base-Backbone interact. energy: -0.636
local terms energy: -44.134483
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -8.077
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -75.620663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.620663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.620663 (E_RNA)
where:
Base-Base interactions energy: -20.900
where: short stacking energy: -13.727
Base-Backbone interact. energy: -0.714
local terms energy: -54.007141
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -216.073595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.073595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.073595 (E_RNA)
where:
Base-Base interactions energy: -147.442
where: short stacking energy: -58.061
Base-Backbone interact. energy: 0.211
local terms energy: -68.843071
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -228.049568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.049568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.049568 (E_RNA)
where:
Base-Base interactions energy: -151.289
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.292
local terms energy: -76.468233
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -229.614913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.614913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.614913 (E_RNA)
where:
Base-Base interactions energy: -155.082
where: short stacking energy: -73.553
Base-Backbone interact. energy: -0.000
local terms energy: -74.532395
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -222.162915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.162915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.162915 (E_RNA)
where:
Base-Base interactions energy: -153.029
where: short stacking energy: -73.395
Base-Backbone interact. energy: -0.003
local terms energy: -69.130916
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.828
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -194.542237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.542237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.542237 (E_RNA)
where:
Base-Base interactions energy: -123.048
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.047
local terms energy: -71.446444
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -196.528722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.528722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.528722 (E_RNA)
where:
Base-Base interactions energy: -130.712
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.076
local terms energy: -65.740741
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -89.435867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435867 (E_RNA)
where:
Base-Base interactions energy: -37.037
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.049
local terms energy: -52.349845
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -3.475
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: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -89.340553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340553 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.002
local terms energy: -47.870937
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -86.135816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.135816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.135816 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.945
Base-Backbone interact. energy: 0.937
local terms energy: -59.127845
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -78.482915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.482915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.482915 (E_RNA)
where:
Base-Base interactions energy: -36.525
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.040
local terms energy: -41.918277
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -3.012
flat angles P-C4'-P energy: -4.821
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: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -202.382857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.382857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.382857 (E_RNA)
where:
Base-Base interactions energy: -129.384
where: short stacking energy: -51.048
Base-Backbone interact. energy: 0.315
local terms energy: -73.314225
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -229.996150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.996150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.996150 (E_RNA)
where:
Base-Base interactions energy: -151.324
where: short stacking energy: -74.692
Base-Backbone interact. energy: -0.003
local terms energy: -78.669324
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -21.492
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: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -223.447642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.447642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.447642 (E_RNA)
where:
Base-Base interactions energy: -145.914
where: short stacking energy: -67.542
Base-Backbone interact. energy: -0.074
local terms energy: -77.459564
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -6.953
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: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -210.189594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.189594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.189594 (E_RNA)
where:
Base-Base interactions energy: -138.244
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.083
local terms energy: -71.862442
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -197.109122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.109122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.109122 (E_RNA)
where:
Base-Base interactions energy: -123.068
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.009
local terms energy: -74.032099
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -21.267
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: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -190.404532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404532 (E_RNA)
where:
Base-Base interactions energy: -121.390
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.805
local terms energy: -68.209358
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -88.177234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.177234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.177234 (E_RNA)
where:
Base-Base interactions energy: -36.475
where: short stacking energy: -36.252
Base-Backbone interact. energy: -0.010
local terms energy: -51.692199
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.446
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -78.337234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.337234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.337234 (E_RNA)
where:
Base-Base interactions energy: -30.684
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.386
local terms energy: -47.266882
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -91.876728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.876728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.876728 (E_RNA)
where:
Base-Base interactions energy: -39.014
where: short stacking energy: -39.014
Base-Backbone interact. energy: -0.096
local terms energy: -52.767024
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.662
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: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -80.905854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.905854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.905854 (E_RNA)
where:
Base-Base interactions energy: -35.657
where: short stacking energy: -19.294
Base-Backbone interact. energy: -0.954
local terms energy: -44.294319
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -7.672
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: 460
Temperature: 0.900000
Total energy: -236.290620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.290620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.290620 (E_RNA)
where:
Base-Base interactions energy: -160.745
where: short stacking energy: -74.895
Base-Backbone interact. energy: -0.009
local terms energy: -75.537565
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -185.612243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.612243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.612243 (E_RNA)
where:
Base-Base interactions energy: -109.735
where: short stacking energy: -54.226
Base-Backbone interact. energy: -0.009
local terms energy: -75.868254
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -225.388401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.388401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.388401 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -72.238
Base-Backbone interact. energy: -0.001
local terms energy: -70.786752
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.044
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: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -221.386973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.386973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.386973 (E_RNA)
where:
Base-Base interactions energy: -147.185
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.001
local terms energy: -74.201016
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -18.882
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: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -206.599598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.599598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.599598 (E_RNA)
where:
Base-Base interactions energy: -138.507
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.052
local terms energy: -68.040247
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -191.096426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.096426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.096426 (E_RNA)
where:
Base-Base interactions energy: -121.969
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.014
local terms energy: -69.113654
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -16.830
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: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -97.201770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.201770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.201770 (E_RNA)
where:
Base-Base interactions energy: -41.220
where: short stacking energy: -41.220
Base-Backbone interact. energy: -0.068
local terms energy: -55.913793
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -9.349
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: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -80.488204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.488204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.488204 (E_RNA)
where:
Base-Base interactions energy: -28.121
where: short stacking energy: -27.349
Base-Backbone interact. energy: -0.138
local terms energy: -52.229039
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -72.552500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.552500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.552500 (E_RNA)
where:
Base-Base interactions energy: -22.247
where: short stacking energy: -22.247
Base-Backbone interact. energy: 0.697
local terms energy: -51.002883
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -2.337
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: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -70.875666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.875666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.875666 (E_RNA)
where:
Base-Base interactions energy: -29.342
where: short stacking energy: -25.842
Base-Backbone interact. energy: -0.336
local terms energy: -41.197681
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -7.928
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: 461
Temperature: 0.900000
Total energy: -235.952942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.952942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.952942 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -74.860
Base-Backbone interact. energy: -0.001
local terms energy: -79.469972
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.311
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: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -233.426916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.426916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.426916 (E_RNA)
where:
Base-Base interactions energy: -154.626
where: short stacking energy: -75.341
Base-Backbone interact. energy: -0.012
local terms energy: -78.788741
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -178.139981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.139981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.139981 (E_RNA)
where:
Base-Base interactions energy: -117.184
where: short stacking energy: -56.666
Base-Backbone interact. energy: 0.231
local terms energy: -61.186574
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -6.751
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: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -200.150870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.150870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.150870 (E_RNA)
where:
Base-Base interactions energy: -133.238
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.009
local terms energy: -66.903694
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -211.145491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.145491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.145491 (E_RNA)
where:
Base-Base interactions energy: -135.983
where: short stacking energy: -71.422
Base-Backbone interact. energy: -0.738
local terms energy: -74.424807
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.936
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: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -186.968245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.968245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.968245 (E_RNA)
where:
Base-Base interactions energy: -114.682
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.220
local terms energy: -72.065721
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -12.965
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: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -94.888031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.888031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.888031 (E_RNA)
where:
Base-Base interactions energy: -45.552
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.124
local terms energy: -49.212018
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -8.821
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -90.675463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.675463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.675463 (E_RNA)
where:
Base-Base interactions energy: -36.075
where: short stacking energy: -35.100
Base-Backbone interact. energy: -0.042
local terms energy: -54.558751
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -79.173318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.173318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.173318 (E_RNA)
where:
Base-Base interactions energy: -26.187
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.089
local terms energy: -52.897073
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -116.791601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.791601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.791601 (E_RNA)
where:
Base-Base interactions energy: -67.343
where: short stacking energy: -33.693
Base-Backbone interact. energy: 0.179
local terms energy: -49.627841
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.050
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: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -233.161457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.161457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.161457 (E_RNA)
where:
Base-Base interactions energy: -156.878
where: short stacking energy: -71.015
Base-Backbone interact. energy: -0.700
local terms energy: -75.583131
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -233.243699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.243699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.243699 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.003
local terms energy: -76.493270
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -209.816913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.816913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.816913 (E_RNA)
where:
Base-Base interactions energy: -136.006
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.048
local terms energy: -73.762144
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -180.292177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.292177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.292177 (E_RNA)
where:
Base-Base interactions energy: -109.407
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.254
local terms energy: -70.631465
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -9.995
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: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -187.841359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.841359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.841359 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.092
local terms energy: -65.781151
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -18.221
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: 462
Temperature: 1.150000
Total energy: -180.370802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370802 (E_RNA)
where:
Base-Base interactions energy: -106.855
where: short stacking energy: -58.020
Base-Backbone interact. energy: -0.005
local terms energy: -73.511636
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -88.108787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.108787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.108787 (E_RNA)
where:
Base-Base interactions energy: -31.963
where: short stacking energy: -31.772
Base-Backbone interact. energy: -0.149
local terms energy: -55.997304
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -84.646713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.646713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.646713 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -18.724
Base-Backbone interact. energy: -0.154
local terms energy: -51.472847
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -82.575443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.575443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.575443 (E_RNA)
where:
Base-Base interactions energy: -33.325
where: short stacking energy: -32.197
Base-Backbone interact. energy: -0.105
local terms energy: -49.145338
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -71.954810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.954810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.954810 (E_RNA)
where:
Base-Base interactions energy: -27.551
where: short stacking energy: -26.800
Base-Backbone interact. energy: -0.238
local terms energy: -44.166115
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -234.225800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.225800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.225800 (E_RNA)
where:
Base-Base interactions energy: -154.503
where: short stacking energy: -73.363
Base-Backbone interact. energy: -0.084
local terms energy: -79.639290
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -236.463985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.463985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.463985 (E_RNA)
where:
Base-Base interactions energy: -161.169
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.194
local terms energy: -75.100425
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -208.806835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.806835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.806835 (E_RNA)
where:
Base-Base interactions energy: -130.646
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.001
local terms energy: -78.159665
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -10.730
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: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -204.086589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.086589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.086589 (E_RNA)
where:
Base-Base interactions energy: -136.705
where: short stacking energy: -61.261
Base-Backbone interact. energy: -0.054
local terms energy: -67.327139
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -18.272
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: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -175.734183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.734183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.734183 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -57.977
Base-Backbone interact. energy: 1.404
local terms energy: -55.521376
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.865
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: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -180.957996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.957996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.957996 (E_RNA)
where:
Base-Base interactions energy: -125.420
where: short stacking energy: -58.037
Base-Backbone interact. energy: -0.042
local terms energy: -55.495974
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.203
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: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -89.569254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.569254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.569254 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -32.402
Base-Backbone interact. energy: -0.035
local terms energy: -57.131982
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -78.348402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.348402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.348402 (E_RNA)
where:
Base-Base interactions energy: -23.326
where: short stacking energy: -20.788
Base-Backbone interact. energy: -0.113
local terms energy: -54.908976
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -2.776
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: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -80.563313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.563313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.563313 (E_RNA)
where:
Base-Base interactions energy: -31.578
where: short stacking energy: -30.288
Base-Backbone interact. energy: 2.852
local terms energy: -51.837088
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -11.809
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: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -76.147935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.147935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.147935 (E_RNA)
where:
Base-Base interactions energy: -29.413
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.428
local terms energy: -46.306475
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -1.327
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: 464
Temperature: 0.900000
Total energy: -233.491152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.491152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.491152 (E_RNA)
where:
Base-Base interactions energy: -158.285
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.005
local terms energy: -75.201002
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -224.685715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.685715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.685715 (E_RNA)
where:
Base-Base interactions energy: -143.899
where: short stacking energy: -77.209
Base-Backbone interact. energy: -0.093
local terms energy: -80.694094
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -22.523
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: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -212.319413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.319413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.319413 (E_RNA)
where:
Base-Base interactions energy: -134.984
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.007
local terms energy: -77.328238
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -11.460
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: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -191.966903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.966903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.966903 (E_RNA)
where:
Base-Base interactions energy: -124.216
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.494
local terms energy: -67.256959
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -200.262929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.262929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.262929 (E_RNA)
where:
Base-Base interactions energy: -123.403
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.294
local terms energy: -76.565267
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -20.823
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: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -189.578799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.578799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.578799 (E_RNA)
where:
Base-Base interactions energy: -120.351
where: short stacking energy: -54.797
Base-Backbone interact. energy: 2.479
local terms energy: -71.707466
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.038
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: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -93.629086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.629086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.629086 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.183
local terms energy: -63.816816
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.801
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: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -91.496821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.496821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.496821 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -24.331
Base-Backbone interact. energy: -0.338
local terms energy: -61.672133
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -82.474258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.474258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.474258 (E_RNA)
where:
Base-Base interactions energy: -31.305
where: short stacking energy: -28.868
Base-Backbone interact. energy: 0.155
local terms energy: -51.325003
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.016904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.016904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.016904 (E_RNA)
where:
Base-Base interactions energy: -23.672
where: short stacking energy: -23.672
Base-Backbone interact. energy: -0.034
local terms energy: -53.311041
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -5.012
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: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -232.389652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.389652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.389652 (E_RNA)
where:
Base-Base interactions energy: -156.404
where: short stacking energy: -74.648
Base-Backbone interact. energy: 0.127
local terms energy: -76.112991
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -22.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -221.021572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.021572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.021572 (E_RNA)
where:
Base-Base interactions energy: -143.856
where: short stacking energy: -75.142
Base-Backbone interact. energy: 0.101
local terms energy: -77.266759
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -213.921943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.921943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.921943 (E_RNA)
where:
Base-Base interactions energy: -136.894
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.015
local terms energy: -77.012781
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -21.751
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: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -210.848110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.848110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.848110 (E_RNA)
where:
Base-Base interactions energy: -137.438
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.200
local terms energy: -73.210729
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -7.605
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: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -199.944637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.944637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.944637 (E_RNA)
where:
Base-Base interactions energy: -126.335
where: short stacking energy: -62.402
Base-Backbone interact. energy: -0.088
local terms energy: -73.521361
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -196.102190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.102190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.102190 (E_RNA)
where:
Base-Base interactions energy: -123.728
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.373
local terms energy: -72.001789
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -90.141348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.141348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.141348 (E_RNA)
where:
Base-Base interactions energy: -30.381
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.043
local terms energy: -59.717792
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -81.865479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.865479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.865479 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.213
local terms energy: -45.957254
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -81.080264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.080264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.080264 (E_RNA)
where:
Base-Base interactions energy: -22.601
where: short stacking energy: -21.165
Base-Backbone interact. energy: -0.293
local terms energy: -58.186505
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -75.490951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.490951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.490951 (E_RNA)
where:
Base-Base interactions energy: -30.561
where: short stacking energy: -20.609
Base-Backbone interact. energy: -0.462
local terms energy: -44.468363
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -227.316289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.316289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.316289 (E_RNA)
where:
Base-Base interactions energy: -147.817
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.001
local terms energy: -79.498573
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -231.902569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.902569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.902569 (E_RNA)
where:
Base-Base interactions energy: -144.733
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.005
local terms energy: -87.164707
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -214.432071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.432071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.432071 (E_RNA)
where:
Base-Base interactions energy: -132.137
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.002
local terms energy: -82.293428
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -210.311164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.311164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.311164 (E_RNA)
where:
Base-Base interactions energy: -145.095
where: short stacking energy: -77.000
Base-Backbone interact. energy: -0.006
local terms energy: -65.210258
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -195.262378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.262378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.262378 (E_RNA)
where:
Base-Base interactions energy: -125.198
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.008
local terms energy: -70.056770
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -9.863
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: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -174.942425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.942425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.942425 (E_RNA)
where:
Base-Base interactions energy: -120.386
where: short stacking energy: -52.759
Base-Backbone interact. energy: 0.799
local terms energy: -55.354821
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -85.065075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.065075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.065075 (E_RNA)
where:
Base-Base interactions energy: -31.207
where: short stacking energy: -28.428
Base-Backbone interact. energy: 1.768
local terms energy: -55.626448
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -0.535
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: 466
Temperature: 1.250000
Total energy: -95.214478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.214478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.214478 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -21.246
Base-Backbone interact. energy: -0.262
local terms energy: -45.716715
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -88.852622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.852622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.852622 (E_RNA)
where:
Base-Base interactions energy: -37.715
where: short stacking energy: -27.648
Base-Backbone interact. energy: 0.138
local terms energy: -51.276468
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -74.562066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.562066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.562066 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -29.531
Base-Backbone interact. energy: 0.404
local terms energy: -45.435062
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -7.989
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: 467
Temperature: 0.900000
Total energy: -213.940359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.940359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.940359 (E_RNA)
where:
Base-Base interactions energy: -143.334
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.547
local terms energy: -70.059405
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -235.824816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.824816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.824816 (E_RNA)
where:
Base-Base interactions energy: -157.353
where: short stacking energy: -77.280
Base-Backbone interact. energy: -0.002
local terms energy: -78.469842
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -23.001
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: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -207.396165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.396165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.396165 (E_RNA)
where:
Base-Base interactions energy: -135.054
where: short stacking energy: -69.639
Base-Backbone interact. energy: -0.544
local terms energy: -71.798106
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -11.611
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: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -199.908890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908890 (E_RNA)
where:
Base-Base interactions energy: -124.189
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.009
local terms energy: -75.710677
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -208.735346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.735346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.735346 (E_RNA)
where:
Base-Base interactions energy: -130.867
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.004
local terms energy: -77.864409
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -11.971
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: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -172.614754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.614754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.614754 (E_RNA)
where:
Base-Base interactions energy: -107.511
where: short stacking energy: -55.460
Base-Backbone interact. energy: -0.025
local terms energy: -65.079689
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -90.506583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.506583 (E_RNA)
where:
Base-Base interactions energy: -50.037
where: short stacking energy: -31.779
Base-Backbone interact. energy: 0.925
local terms energy: -41.394816
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -8.366
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -77.146182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.146182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.146182 (E_RNA)
where:
Base-Base interactions energy: -30.561
where: short stacking energy: -28.992
Base-Backbone interact. energy: 0.381
local terms energy: -46.965992
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -76.011895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.011895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.011895 (E_RNA)
where:
Base-Base interactions energy: -20.704
where: short stacking energy: -19.210
Base-Backbone interact. energy: -0.149
local terms energy: -55.159327
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -78.754548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.754548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.754548 (E_RNA)
where:
Base-Base interactions energy: -29.733
where: short stacking energy: -15.607
Base-Backbone interact. energy: -0.185
local terms energy: -48.836509
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -2.921
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: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -238.194597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.194597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.194597 (E_RNA)
where:
Base-Base interactions energy: -156.511
where: short stacking energy: -71.684
Base-Backbone interact. energy: -0.009
local terms energy: -81.675451
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -224.516206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.516206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.516206 (E_RNA)
where:
Base-Base interactions energy: -153.406
where: short stacking energy: -76.321
Base-Backbone interact. energy: -0.063
local terms energy: -71.047499
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -200.523050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.523050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.523050 (E_RNA)
where:
Base-Base interactions energy: -132.067
where: short stacking energy: -64.104
Base-Backbone interact. energy: -0.051
local terms energy: -68.404742
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -10.732
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: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -188.912422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.912422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.912422 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.067
local terms energy: -67.738911
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -168.591795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.591795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.591795 (E_RNA)
where:
Base-Base interactions energy: -105.449
where: short stacking energy: -46.891
Base-Backbone interact. energy: -0.219
local terms energy: -62.923826
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -193.527760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.527760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.527760 (E_RNA)
where:
Base-Base interactions energy: -131.021
where: short stacking energy: -64.243
Base-Backbone interact. energy: -0.294
local terms energy: -62.212790
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -107.992555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.992555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.992555 (E_RNA)
where:
Base-Base interactions energy: -45.557
where: short stacking energy: -35.069
Base-Backbone interact. energy: -0.731
local terms energy: -61.704825
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -7.683
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: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -96.504452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.504452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.504452 (E_RNA)
where:
Base-Base interactions energy: -48.083
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.098
local terms energy: -48.323741
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -86.369444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.369444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.369444 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.182
local terms energy: -47.833996
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -2.311
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -86.072143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.072143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.072143 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.805
local terms energy: -52.339972
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -9.286
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: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -239.290353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.290353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.290353 (E_RNA)
where:
Base-Base interactions energy: -154.636
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.002
local terms energy: -84.651601
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -222.496433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.496433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.496433 (E_RNA)
where:
Base-Base interactions energy: -142.252
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.002
local terms energy: -80.242477
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -9.792
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: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -194.784330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.784330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.784330 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -62.402
Base-Backbone interact. energy: -0.126
local terms energy: -65.822470
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -9.700
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: 469
Temperature: 1.050000
Total energy: -189.694514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.694514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.694514 (E_RNA)
where:
Base-Base interactions energy: -125.880
where: short stacking energy: -49.628
Base-Backbone interact. energy: -0.792
local terms energy: -63.023166
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -6.606
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: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -173.195768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.195768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.195768 (E_RNA)
where:
Base-Base interactions energy: -112.368
where: short stacking energy: -45.118
Base-Backbone interact. energy: -0.362
local terms energy: -60.464984
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -195.809896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.809896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.809896 (E_RNA)
where:
Base-Base interactions energy: -127.932
where: short stacking energy: -66.642
Base-Backbone interact. energy: -0.004
local terms energy: -67.873911
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -94.616124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.616124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.616124 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.157
local terms energy: -54.789964
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -75.369691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.369691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.369691 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -25.681
Base-Backbone interact. energy: -0.377
local terms energy: -44.741450
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -77.289519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.289519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.289519 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -22.572
Base-Backbone interact. energy: -0.607
local terms energy: -49.146062
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -1.956
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: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -89.193373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.193373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.193373 (E_RNA)
where:
Base-Base interactions energy: -43.421
where: short stacking energy: -38.388
Base-Backbone interact. energy: -0.176
local terms energy: -45.596449
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -8.155
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: 470
Temperature: 0.900000
Total energy: -221.121706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.121706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.121706 (E_RNA)
where:
Base-Base interactions energy: -147.850
where: short stacking energy: -77.398
Base-Backbone interact. energy: 0.073
local terms energy: -73.345038
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -225.292591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.292591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.292591 (E_RNA)
where:
Base-Base interactions energy: -146.001
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.051
local terms energy: -79.240532
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -212.614737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.614737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.614737 (E_RNA)
where:
Base-Base interactions energy: -143.335
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.005
local terms energy: -69.274567
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -196.838374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.838374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.838374 (E_RNA)
where:
Base-Base interactions energy: -127.659
where: short stacking energy: -62.706
Base-Backbone interact. energy: -0.514
local terms energy: -68.665571
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -200.862968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.862968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.862968 (E_RNA)
where:
Base-Base interactions energy: -131.329
where: short stacking energy: -55.187
Base-Backbone interact. energy: 0.940
local terms energy: -70.474120
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -193.381629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.381629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.381629 (E_RNA)
where:
Base-Base interactions energy: -122.034
where: short stacking energy: -56.547
Base-Backbone interact. energy: -0.836
local terms energy: -70.511677
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -17.054
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: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -105.413543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.413543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.413543 (E_RNA)
where:
Base-Base interactions energy: -39.289
where: short stacking energy: -39.289
Base-Backbone interact. energy: -0.024
local terms energy: -66.101138
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -83.678560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.678560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.678560 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -33.019
Base-Backbone interact. energy: -0.013
local terms energy: -50.646905
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -85.107578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.107578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.107578 (E_RNA)
where:
Base-Base interactions energy: -38.478
where: short stacking energy: -37.499
Base-Backbone interact. energy: -0.117
local terms energy: -46.512582
where:
bonds (distance) C4'-P energy: -7.387
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -1.816
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -98.046109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.046109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.046109 (E_RNA)
where:
Base-Base interactions energy: -45.572
where: short stacking energy: -32.360
Base-Backbone interact. energy: 0.262
local terms energy: -52.736355
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -218.394305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.394305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.394305 (E_RNA)
where:
Base-Base interactions energy: -147.833
where: short stacking energy: -66.592
Base-Backbone interact. energy: 1.411
local terms energy: -71.972007
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -13.354
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: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -232.930883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.930883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.930883 (E_RNA)
where:
Base-Base interactions energy: -159.783
where: short stacking energy: -73.879
Base-Backbone interact. energy: -0.001
local terms energy: -73.147191
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -227.487178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.487178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.487178 (E_RNA)
where:
Base-Base interactions energy: -153.134
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.002
local terms energy: -74.351180
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -197.667562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.667562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.667562 (E_RNA)
where:
Base-Base interactions energy: -129.185
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.054
local terms energy: -68.428810
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -188.015045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.015045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.015045 (E_RNA)
where:
Base-Base interactions energy: -120.954
where: short stacking energy: -54.298
Base-Backbone interact. energy: -0.105
local terms energy: -66.955955
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -188.162801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.162801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.162801 (E_RNA)
where:
Base-Base interactions energy: -120.954
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.002
local terms energy: -67.207573
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -10.472
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: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -89.697062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.697062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.697062 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -27.160
Base-Backbone interact. energy: -0.820
local terms energy: -50.660735
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -8.254
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -79.145148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.145148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.145148 (E_RNA)
where:
Base-Base interactions energy: -32.681
where: short stacking energy: -28.684
Base-Backbone interact. energy: 1.181
local terms energy: -47.645062
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -89.494140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.494140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.494140 (E_RNA)
where:
Base-Base interactions energy: -29.645
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.016
local terms energy: -59.832929
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -88.755056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.755056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.755056 (E_RNA)
where:
Base-Base interactions energy: -37.924
where: short stacking energy: -34.184
Base-Backbone interact. energy: 0.584
local terms energy: -51.414884
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -10.246
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: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -232.863371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.863371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.863371 (E_RNA)
where:
Base-Base interactions energy: -152.871
where: short stacking energy: -73.238
Base-Backbone interact. energy: -0.000
local terms energy: -79.991634
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -218.663350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.663350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.663350 (E_RNA)
where:
Base-Base interactions energy: -138.606
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.059
local terms energy: -79.998510
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -211.487569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.487569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.487569 (E_RNA)
where:
Base-Base interactions energy: -144.984
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.383
local terms energy: -66.120599
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.874
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: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -204.754675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.754675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.754675 (E_RNA)
where:
Base-Base interactions energy: -132.464
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.174
local terms energy: -72.116395
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -202.407197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.407197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.407197 (E_RNA)
where:
Base-Base interactions energy: -129.861
where: short stacking energy: -63.000
Base-Backbone interact. energy: 0.775
local terms energy: -73.321563
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -195.101897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.101897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.101897 (E_RNA)
where:
Base-Base interactions energy: -129.008
where: short stacking energy: -54.791
Base-Backbone interact. energy: -0.063
local terms energy: -66.031670
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -95.917204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.917204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.917204 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -25.598
Base-Backbone interact. energy: -0.261
local terms energy: -54.410769
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -96.989345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.989345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.989345 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -37.284
Base-Backbone interact. energy: -0.072
local terms energy: -59.633003
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -109.822397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.822397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.822397 (E_RNA)
where:
Base-Base interactions energy: -59.364
where: short stacking energy: -34.428
Base-Backbone interact. energy: 0.559
local terms energy: -51.017054
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -73.565975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.565975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.565975 (E_RNA)
where:
Base-Base interactions energy: -24.219
where: short stacking energy: -24.219
Base-Backbone interact. energy: -0.297
local terms energy: -49.050152
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -235.421975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.421975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.421975 (E_RNA)
where:
Base-Base interactions energy: -157.711
where: short stacking energy: -74.327
Base-Backbone interact. energy: -0.005
local terms energy: -77.705642
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -210.456171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.456171 (E_RNA)
where:
Base-Base interactions energy: -136.836
where: short stacking energy: -68.410
Base-Backbone interact. energy: -0.123
local terms energy: -73.497434
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -224.821084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.821084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.821084 (E_RNA)
where:
Base-Base interactions energy: -156.386
where: short stacking energy: -72.953
Base-Backbone interact. energy: 0.218
local terms energy: -68.653000
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -207.150792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.150792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.150792 (E_RNA)
where:
Base-Base interactions energy: -126.109
where: short stacking energy: -59.860
Base-Backbone interact. energy: 0.110
local terms energy: -81.151688
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -13.104
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: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -197.131194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.131194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.131194 (E_RNA)
where:
Base-Base interactions energy: -122.167
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.696
local terms energy: -74.268707
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -181.134216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.134216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.134216 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -61.858
Base-Backbone interact. energy: 0.718
local terms energy: -66.589914
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -7.790
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: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -89.011185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.011185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.011185 (E_RNA)
where:
Base-Base interactions energy: -38.324
where: short stacking energy: -26.137
Base-Backbone interact. energy: 0.191
local terms energy: -50.878157
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -4.714
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: 8, replica: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -128.340518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.340518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.340518 (E_RNA)
where:
Base-Base interactions energy: -76.228
where: short stacking energy: -41.330
Base-Backbone interact. energy: -0.138
local terms energy: -51.973885
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -83.907924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.907924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.907924 (E_RNA)
where:
Base-Base interactions energy: -33.858
where: short stacking energy: -31.966
Base-Backbone interact. energy: -0.012
local terms energy: -50.037776
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -75.028525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.028525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.028525 (E_RNA)
where:
Base-Base interactions energy: -24.927
where: short stacking energy: -20.923
Base-Backbone interact. energy: -0.259
local terms energy: -49.841912
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: 1.249
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: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -234.288212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.288212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.288212 (E_RNA)
where:
Base-Base interactions energy: -157.395
where: short stacking energy: -73.741
Base-Backbone interact. energy: -0.001
local terms energy: -76.892190
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -229.166325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.166325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.166325 (E_RNA)
where:
Base-Base interactions energy: -158.124
where: short stacking energy: -71.722
Base-Backbone interact. energy: 0.662
local terms energy: -71.704425
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.687
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: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -199.325347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.325347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.325347 (E_RNA)
where:
Base-Base interactions energy: -131.519
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.098
local terms energy: -67.708888
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -15.695
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: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -205.846805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.846805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.846805 (E_RNA)
where:
Base-Base interactions energy: -137.274
where: short stacking energy: -76.373
Base-Backbone interact. energy: -0.000
local terms energy: -68.572414
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -176.380818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.380818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.380818 (E_RNA)
where:
Base-Base interactions energy: -109.809
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.193
local terms energy: -66.378793
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -15.336
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: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -195.794336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.794336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.794336 (E_RNA)
where:
Base-Base interactions energy: -126.084
where: short stacking energy: -63.596
Base-Backbone interact. energy: -0.259
local terms energy: -69.451124
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -7.661
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: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -89.094808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.094808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.094808 (E_RNA)
where:
Base-Base interactions energy: -41.404
where: short stacking energy: -30.506
Base-Backbone interact. energy: 0.212
local terms energy: -47.902785
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -86.833337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.833337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.833337 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.020
local terms energy: -53.860001
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -80.827042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.827042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.827042 (E_RNA)
where:
Base-Base interactions energy: -26.639
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.133
local terms energy: -54.054885
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -70.599897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.599897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.599897 (E_RNA)
where:
Base-Base interactions energy: -28.951
where: short stacking energy: -22.427
Base-Backbone interact. energy: -0.240
local terms energy: -41.409347
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -2.071
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: 0.475
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: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -237.760719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.760719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.760719 (E_RNA)
where:
Base-Base interactions energy: -153.640
where: short stacking energy: -71.695
Base-Backbone interact. energy: -0.009
local terms energy: -84.112314
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -229.767567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.767567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.767567 (E_RNA)
where:
Base-Base interactions energy: -156.982
where: short stacking energy: -71.855
Base-Backbone interact. energy: -0.004
local terms energy: -72.781983
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.792
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: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -208.942482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.942482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.942482 (E_RNA)
where:
Base-Base interactions energy: -137.347
where: short stacking energy: -62.793
Base-Backbone interact. energy: -0.250
local terms energy: -71.346122
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -179.011949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.011949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.011949 (E_RNA)
where:
Base-Base interactions energy: -107.511
where: short stacking energy: -57.564
Base-Backbone interact. energy: -0.207
local terms energy: -71.293450
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -189.560641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.560641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.560641 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.719
local terms energy: -64.475662
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -161.646007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.646007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.646007 (E_RNA)
where:
Base-Base interactions energy: -102.575
where: short stacking energy: -46.947
Base-Backbone interact. energy: -0.005
local terms energy: -59.065179
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -84.971557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.971557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.971557 (E_RNA)
where:
Base-Base interactions energy: -38.148
where: short stacking energy: -27.860
Base-Backbone interact. energy: 0.887
local terms energy: -47.709981
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: 1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -76.771749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.771749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.771749 (E_RNA)
where:
Base-Base interactions energy: -27.141
where: short stacking energy: -22.611
Base-Backbone interact. energy: -0.080
local terms energy: -49.550562
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.393
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: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -77.832464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.832464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.832464 (E_RNA)
where:
Base-Base interactions energy: -27.240
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.303
local terms energy: -50.290202
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -6.647
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: 475
Temperature: 1.350000
Total energy: -83.005870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.005870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.005870 (E_RNA)
where:
Base-Base interactions energy: -40.196
where: short stacking energy: -28.070
Base-Backbone interact. energy: -0.256
local terms energy: -42.553703
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -237.586775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.586775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.586775 (E_RNA)
where:
Base-Base interactions energy: -151.598
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.271
local terms energy: -85.718124
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -228.539842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.539842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.539842 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.009
local terms energy: -78.194367
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -210.127472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.127472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.127472 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.006
local terms energy: -78.320312
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -204.701876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.701876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.701876 (E_RNA)
where:
Base-Base interactions energy: -131.575
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.030
local terms energy: -73.096454
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -179.010756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.010756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.010756 (E_RNA)
where:
Base-Base interactions energy: -114.349
where: short stacking energy: -55.172
Base-Backbone interact. energy: -0.073
local terms energy: -64.588994
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -10.797
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: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -184.172961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.172961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.172961 (E_RNA)
where:
Base-Base interactions energy: -122.961
where: short stacking energy: -55.054
Base-Backbone interact. energy: -0.395
local terms energy: -60.816996
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -81.943501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.943501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.943501 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.171
local terms energy: -46.714478
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -84.958151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.958151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.958151 (E_RNA)
where:
Base-Base interactions energy: -34.616
where: short stacking energy: -34.616
Base-Backbone interact. energy: 0.023
local terms energy: -50.364983
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -79.537377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.537377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.537377 (E_RNA)
where:
Base-Base interactions energy: -28.847
where: short stacking energy: -28.847
Base-Backbone interact. energy: -0.015
local terms energy: -50.675411
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -5.254
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: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -76.077220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.077220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.077220 (E_RNA)
where:
Base-Base interactions energy: -25.154
where: short stacking energy: -21.625
Base-Backbone interact. energy: -0.119
local terms energy: -50.804089
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.158
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: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -240.260851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.260851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.260851 (E_RNA)
where:
Base-Base interactions energy: -162.815
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.341
local terms energy: -77.104755
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -23.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -228.833347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.833347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.833347 (E_RNA)
where:
Base-Base interactions energy: -151.939
where: short stacking energy: -71.222
Base-Backbone interact. energy: -0.109
local terms energy: -76.785783
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -208.835451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.835451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.835451 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.036
local terms energy: -78.656022
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -193.638950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.638950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.638950 (E_RNA)
where:
Base-Base interactions energy: -128.730
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.395
local terms energy: -64.513853
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -214.327658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.327658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.327658 (E_RNA)
where:
Base-Base interactions energy: -137.516
where: short stacking energy: -75.039
Base-Backbone interact. energy: -0.002
local terms energy: -76.809157
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -22.317
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: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -191.577094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.577094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.577094 (E_RNA)
where:
Base-Base interactions energy: -125.313
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.150
local terms energy: -66.113460
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -9.624
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: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -87.943554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.943554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.943554 (E_RNA)
where:
Base-Base interactions energy: -40.609
where: short stacking energy: -39.940
Base-Backbone interact. energy: 0.539
local terms energy: -47.873467
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -5.215
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: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -89.229573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.229573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.229573 (E_RNA)
where:
Base-Base interactions energy: -34.225
where: short stacking energy: -34.225
Base-Backbone interact. energy: -0.022
local terms energy: -54.982768
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -84.522479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.522479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.522479 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -34.013
Base-Backbone interact. energy: -0.526
local terms energy: -48.164357
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -6.719
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -11.943
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: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -81.109013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.109013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.109013 (E_RNA)
where:
Base-Base interactions energy: -35.493
where: short stacking energy: -29.460
Base-Backbone interact. energy: -0.337
local terms energy: -45.279318
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -10.555
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: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -238.601259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.601259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.601259 (E_RNA)
where:
Base-Base interactions energy: -163.647
where: short stacking energy: -77.959
Base-Backbone interact. energy: -0.226
local terms energy: -74.728505
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -9.709
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: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -206.475573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.475573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.475573 (E_RNA)
where:
Base-Base interactions energy: -135.537
where: short stacking energy: -69.237
Base-Backbone interact. energy: -0.094
local terms energy: -70.845081
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -206.114015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.114015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.114015 (E_RNA)
where:
Base-Base interactions energy: -130.895
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.010
local terms energy: -75.208890
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -210.777079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.777079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.777079 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -69.963
Base-Backbone interact. energy: -0.013
local terms energy: -63.447964
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -5.297
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: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -194.749272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.749272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.749272 (E_RNA)
where:
Base-Base interactions energy: -118.843
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.005
local terms energy: -75.900936
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -197.612187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.612187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.612187 (E_RNA)
where:
Base-Base interactions energy: -135.291
where: short stacking energy: -59.027
Base-Backbone interact. energy: 0.090
local terms energy: -62.410547
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -13.084
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: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -106.321292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.321292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.321292 (E_RNA)
where:
Base-Base interactions energy: -46.132
where: short stacking energy: -45.939
Base-Backbone interact. energy: -0.065
local terms energy: -60.123412
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -4.360
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: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -90.043673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.043673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.043673 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -35.514
Base-Backbone interact. energy: -0.245
local terms energy: -54.284789
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -73.416531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.416531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.416531 (E_RNA)
where:
Base-Base interactions energy: -24.298
where: short stacking energy: -18.964
Base-Backbone interact. energy: -0.839
local terms energy: -48.279101
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -7.479
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -79.802047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.802047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.802047 (E_RNA)
where:
Base-Base interactions energy: -28.666
where: short stacking energy: -22.259
Base-Backbone interact. energy: 0.241
local terms energy: -51.377749
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -11.341
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: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -237.453866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.453866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.453866 (E_RNA)
where:
Base-Base interactions energy: -157.245
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.407
local terms energy: -79.802311
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -205.199241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.199241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.199241 (E_RNA)
where:
Base-Base interactions energy: -131.537
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.050
local terms energy: -73.612314
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -216.785100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.785100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.785100 (E_RNA)
where:
Base-Base interactions energy: -140.200
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.039
local terms energy: -76.545540
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -21.590
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: 479
Temperature: 1.050000
Total energy: -202.997494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.997494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.997494 (E_RNA)
where:
Base-Base interactions energy: -130.304
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.004
local terms energy: -72.689206
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -188.209872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.209872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.209872 (E_RNA)
where:
Base-Base interactions energy: -117.035
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.014
local terms energy: -71.161050
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.256
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: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -179.076394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.076394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.076394 (E_RNA)
where:
Base-Base interactions energy: -111.331
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.012
local terms energy: -67.734019
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -103.696264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.696264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.696264 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -38.865
Base-Backbone interact. energy: -0.441
local terms energy: -57.697381
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -97.245519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.245519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.245519 (E_RNA)
where:
Base-Base interactions energy: -44.115
where: short stacking energy: -22.676
Base-Backbone interact. energy: -0.142
local terms energy: -52.988384
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -74.016395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.016395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.016395 (E_RNA)
where:
Base-Base interactions energy: -22.649
where: short stacking energy: -22.270
Base-Backbone interact. energy: 0.471
local terms energy: -51.837457
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -69.567627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.567627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.567627 (E_RNA)
where:
Base-Base interactions energy: -27.210
where: short stacking energy: -21.241
Base-Backbone interact. energy: -0.464
local terms energy: -41.893599
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: 2.562
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: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -237.984052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.984052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.984052 (E_RNA)
where:
Base-Base interactions energy: -157.399
where: short stacking energy: -77.414
Base-Backbone interact. energy: 0.778
local terms energy: -81.362281
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -10.129
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: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -212.334475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.334475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.334475 (E_RNA)
where:
Base-Base interactions energy: -130.196
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.058
local terms energy: -82.080882
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -222.883137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.883137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.883137 (E_RNA)
where:
Base-Base interactions energy: -142.096
where: short stacking energy: -73.986
Base-Backbone interact. energy: -0.005
local terms energy: -80.781450
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -13.647
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: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -204.553825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.553825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.553825 (E_RNA)
where:
Base-Base interactions energy: -130.886
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.000
local terms energy: -73.667396
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -21.172
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: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -171.264403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.264403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.264403 (E_RNA)
where:
Base-Base interactions energy: -104.145
where: short stacking energy: -51.694
Base-Backbone interact. energy: -0.006
local terms energy: -67.113991
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -199.716099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.716099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.716099 (E_RNA)
where:
Base-Base interactions energy: -132.686
where: short stacking energy: -58.812
Base-Backbone interact. energy: -1.337
local terms energy: -65.693073
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -15.642
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: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -101.872423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.872423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.872423 (E_RNA)
where:
Base-Base interactions energy: -46.533
where: short stacking energy: -33.625
Base-Backbone interact. energy: 0.570
local terms energy: -55.909461
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -5.177
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: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -98.384492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.384492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.384492 (E_RNA)
where:
Base-Base interactions energy: -51.563
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.008
local terms energy: -46.814411
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -87.607639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.607639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.607639 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.314
local terms energy: -57.734039
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -82.037920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.037920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.037920 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -27.019
Base-Backbone interact. energy: 1.220
local terms energy: -50.802045
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -6.821
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: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -236.190675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.190675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.190675 (E_RNA)
where:
Base-Base interactions energy: -164.623
where: short stacking energy: -78.277
Base-Backbone interact. energy: -0.001
local terms energy: -71.567297
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.801
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: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -230.883699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.883699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.883699 (E_RNA)
where:
Base-Base interactions energy: -148.122
where: short stacking energy: -66.433
Base-Backbone interact. energy: -0.000
local terms energy: -82.760846
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -212.895825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.895825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.895825 (E_RNA)
where:
Base-Base interactions energy: -139.729
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.538
local terms energy: -72.629040
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -205.007081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.007081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.007081 (E_RNA)
where:
Base-Base interactions energy: -134.084
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.177
local terms energy: -70.745273
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -19.053
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: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -193.773254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.773254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.773254 (E_RNA)
where:
Base-Base interactions energy: -118.780
where: short stacking energy: -54.870
Base-Backbone interact. energy: -0.110
local terms energy: -74.884029
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -187.939152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.939152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.939152 (E_RNA)
where:
Base-Base interactions energy: -117.266
where: short stacking energy: -53.939
Base-Backbone interact. energy: -0.520
local terms energy: -70.152642
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -109.572077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.572077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.572077 (E_RNA)
where:
Base-Base interactions energy: -47.853
where: short stacking energy: -47.853
Base-Backbone interact. energy: -0.023
local terms energy: -61.695570
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -89.247789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.247789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.247789 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -36.979
Base-Backbone interact. energy: -0.186
local terms energy: -52.081945
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -5.977
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: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -78.560507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.560507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.560507 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -31.178
Base-Backbone interact. energy: -0.212
local terms energy: -45.748045
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -70.626654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.626654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.626654 (E_RNA)
where:
Base-Base interactions energy: -24.203
where: short stacking energy: -20.966
Base-Backbone interact. energy: -0.229
local terms energy: -46.194082
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: 0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -236.571646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.571646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.571646 (E_RNA)
where:
Base-Base interactions energy: -157.147
where: short stacking energy: -75.528
Base-Backbone interact. energy: -0.001
local terms energy: -79.423706
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -23.795
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: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -233.083603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.083603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.083603 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -71.805
Base-Backbone interact. energy: -0.043
local terms energy: -78.722877
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -209.864267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.864267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.864267 (E_RNA)
where:
Base-Base interactions energy: -132.876
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.491
local terms energy: -76.496691
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -199.500707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.500707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.500707 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -57.565
Base-Backbone interact. energy: 0.229
local terms energy: -65.192292
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -195.187498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.187498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.187498 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -58.899
Base-Backbone interact. energy: -0.017
local terms energy: -66.495845
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -19.048
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: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -175.405072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.405072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.405072 (E_RNA)
where:
Base-Base interactions energy: -108.930
where: short stacking energy: -50.549
Base-Backbone interact. energy: -0.194
local terms energy: -66.281565
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -106.937522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.937522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.937522 (E_RNA)
where:
Base-Base interactions energy: -51.842
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.115
local terms energy: -54.980674
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -77.908248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.908248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.908248 (E_RNA)
where:
Base-Base interactions energy: -24.725
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.160
local terms energy: -53.023007
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -1.547
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: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -86.146122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.146122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.146122 (E_RNA)
where:
Base-Base interactions energy: -32.438
where: short stacking energy: -32.438
Base-Backbone interact. energy: 1.582
local terms energy: -55.290196
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -72.082984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.082984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.082984 (E_RNA)
where:
Base-Base interactions energy: -23.826
where: short stacking energy: -18.073
Base-Backbone interact. energy: -0.214
local terms energy: -48.042583
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: 3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -234.331085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.331085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.331085 (E_RNA)
where:
Base-Base interactions energy: -157.262
where: short stacking energy: -70.912
Base-Backbone interact. energy: -0.000
local terms energy: -77.068723
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -21.702
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: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -232.055905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.055905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.055905 (E_RNA)
where:
Base-Base interactions energy: -155.819
where: short stacking energy: -79.724
Base-Backbone interact. energy: -0.001
local terms energy: -76.236042
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -214.923264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.923264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.923264 (E_RNA)
where:
Base-Base interactions energy: -151.095
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.460
local terms energy: -63.368028
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -199.806633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.806633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.806633 (E_RNA)
where:
Base-Base interactions energy: -125.891
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.587
local terms energy: -73.327830
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -196.825644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.825644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.825644 (E_RNA)
where:
Base-Base interactions energy: -122.254
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.132
local terms energy: -74.439780
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -176.992774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.992774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.992774 (E_RNA)
where:
Base-Base interactions energy: -111.966
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.056
local terms energy: -64.970484
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -92.092863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092863 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -40.002
Base-Backbone interact. energy: -0.031
local terms energy: -47.589008
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -7.253
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: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -90.341086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.341086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.341086 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -27.914
Base-Backbone interact. energy: -0.149
local terms energy: -57.646121
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -83.949601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.949601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.949601 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.106
local terms energy: -51.731411
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -73.971617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.971617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.971617 (E_RNA)
where:
Base-Base interactions energy: -24.246
where: short stacking energy: -23.688
Base-Backbone interact. energy: -0.493
local terms energy: -49.232758
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -241.224554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.224554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.224554 (E_RNA)
where:
Base-Base interactions energy: -162.038
where: short stacking energy: -78.374
Base-Backbone interact. energy: -0.294
local terms energy: -78.892451
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -230.687120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.687120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.687120 (E_RNA)
where:
Base-Base interactions energy: -149.034
where: short stacking energy: -75.484
Base-Backbone interact. energy: -0.006
local terms energy: -81.648040
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -22.133
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: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -205.495029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.495029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.495029 (E_RNA)
where:
Base-Base interactions energy: -133.068
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.010
local terms energy: -72.416660
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -214.962864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.962864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.962864 (E_RNA)
where:
Base-Base interactions energy: -152.162
where: short stacking energy: -63.677
Base-Backbone interact. energy: -0.408
local terms energy: -62.393236
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -198.291125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.291125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.291125 (E_RNA)
where:
Base-Base interactions energy: -131.603
where: short stacking energy: -53.150
Base-Backbone interact. energy: -0.203
local terms energy: -66.485594
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -188.127411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.127411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.127411 (E_RNA)
where:
Base-Base interactions energy: -122.784
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.103
local terms energy: -65.240518
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.895
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: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -109.342290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.342290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.342290 (E_RNA)
where:
Base-Base interactions energy: -57.921
where: short stacking energy: -27.521
Base-Backbone interact. energy: -0.453
local terms energy: -50.968653
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -84.839256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.839256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.839256 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -29.055
Base-Backbone interact. energy: -0.351
local terms energy: -51.133498
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -7.752
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: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -110.890746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.890746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.890746 (E_RNA)
where:
Base-Base interactions energy: -59.013
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.609
local terms energy: -51.269029
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -74.544008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.544008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.544008 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -32.233
Base-Backbone interact. energy: -0.043
local terms energy: -40.251021
where:
bonds (distance) C4'-P energy: -2.913
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -239.152851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.152851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.152851 (E_RNA)
where:
Base-Base interactions energy: -157.946
where: short stacking energy: -75.774
Base-Backbone interact. energy: -0.002
local terms energy: -81.204269
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -232.073741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.073741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.073741 (E_RNA)
where:
Base-Base interactions energy: -152.473
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.966
local terms energy: -78.634644
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -22.052
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: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -216.236031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236031 (E_RNA)
where:
Base-Base interactions energy: -143.793
where: short stacking energy: -75.895
Base-Backbone interact. energy: -0.012
local terms energy: -72.430936
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -16.332
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: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -215.706180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706180 (E_RNA)
where:
Base-Base interactions energy: -138.848
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.405
local terms energy: -76.453442
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -18.962
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: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -185.755551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.755551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.755551 (E_RNA)
where:
Base-Base interactions energy: -119.110
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.628
local terms energy: -66.016820
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -12.212
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: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -162.968552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.968552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.968552 (E_RNA)
where:
Base-Base interactions energy: -100.917
where: short stacking energy: -47.791
Base-Backbone interact. energy: -0.858
local terms energy: -61.194094
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -5.633
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: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -122.691206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.691206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.691206 (E_RNA)
where:
Base-Base interactions energy: -64.344
where: short stacking energy: -29.249
Base-Backbone interact. energy: -0.076
local terms energy: -58.271477
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -5.984
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: 485
Temperature: 1.250000
Total energy: -149.619492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.619492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.619492 (E_RNA)
where:
Base-Base interactions energy: -87.557
where: short stacking energy: -42.257
Base-Backbone interact. energy: -0.273
local terms energy: -61.789626
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -81.439131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439131 (E_RNA)
where:
Base-Base interactions energy: -40.396
where: short stacking energy: -25.407
Base-Backbone interact. energy: -0.865
local terms energy: -40.177746
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -8.229
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -68.330853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.330853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.330853 (E_RNA)
where:
Base-Base interactions energy: -18.730
where: short stacking energy: -18.730
Base-Backbone interact. energy: -0.045
local terms energy: -49.555888
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -11.099
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: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -233.094194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.094194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.094194 (E_RNA)
where:
Base-Base interactions energy: -157.989
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.002
local terms energy: -75.103018
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -6.719
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: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -229.504210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.504210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.504210 (E_RNA)
where:
Base-Base interactions energy: -156.166
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.320
local terms energy: -73.017972
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -207.993963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.993963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.993963 (E_RNA)
where:
Base-Base interactions energy: -141.882
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.015
local terms energy: -66.096696
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -10.894
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: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -214.404927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.404927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.404927 (E_RNA)
where:
Base-Base interactions energy: -142.576
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.043
local terms energy: -71.786257
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -12.273
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: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -169.063005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.063005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.063005 (E_RNA)
where:
Base-Base interactions energy: -111.792
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.004
local terms energy: -57.267186
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -179.131547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.131547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.131547 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -52.703
Base-Backbone interact. energy: -0.156
local terms energy: -62.183324
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -139.611425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.611425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.611425 (E_RNA)
where:
Base-Base interactions energy: -76.891
where: short stacking energy: -37.833
Base-Backbone interact. energy: -0.148
local terms energy: -62.572225
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -8.257
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: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -126.443374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.443374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.443374 (E_RNA)
where:
Base-Base interactions energy: -65.446
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.647
local terms energy: -60.350488
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -75.572422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.572422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.572422 (E_RNA)
where:
Base-Base interactions energy: -28.759
where: short stacking energy: -28.759
Base-Backbone interact. energy: -0.039
local terms energy: -46.774112
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -5.556
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: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -74.845516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.845516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.845516 (E_RNA)
where:
Base-Base interactions energy: -27.379
where: short stacking energy: -21.204
Base-Backbone interact. energy: -0.079
local terms energy: -47.387291
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -228.828740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.828740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.828740 (E_RNA)
where:
Base-Base interactions energy: -153.359
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.946
local terms energy: -74.523238
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.710
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: 2, replica: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -213.183049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.183049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.183049 (E_RNA)
where:
Base-Base interactions energy: -142.166
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.629
local terms energy: -70.387808
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -17.540
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: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -235.924539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.924539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.924539 (E_RNA)
where:
Base-Base interactions energy: -155.841
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.452
local terms energy: -79.631734
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -226.959845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.959845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.959845 (E_RNA)
where:
Base-Base interactions energy: -148.463
where: short stacking energy: -67.235
Base-Backbone interact. energy: 0.414
local terms energy: -78.910586
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -182.512925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.512925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.512925 (E_RNA)
where:
Base-Base interactions energy: -113.646
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.001
local terms energy: -68.865685
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -8.407
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: 6, replica: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -174.284373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.284373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.284373 (E_RNA)
where:
Base-Base interactions energy: -113.410
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.220
local terms energy: -60.654474
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -118.816335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.816335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.816335 (E_RNA)
where:
Base-Base interactions energy: -68.729
where: short stacking energy: -44.519
Base-Backbone interact. energy: -0.202
local terms energy: -49.885242
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -7.234
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: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -127.824044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.824044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.824044 (E_RNA)
where:
Base-Base interactions energy: -91.920
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.175
local terms energy: -35.728935
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: 5.472
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -82.171478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.171478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.171478 (E_RNA)
where:
Base-Base interactions energy: -34.992
where: short stacking energy: -25.647
Base-Backbone interact. energy: -0.215
local terms energy: -46.963983
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -71.199896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.199896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.199896 (E_RNA)
where:
Base-Base interactions energy: -23.765
where: short stacking energy: -23.765
Base-Backbone interact. energy: -0.044
local terms energy: -47.391055
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -221.484056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.484056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.484056 (E_RNA)
where:
Base-Base interactions energy: -141.415
where: short stacking energy: -71.039
Base-Backbone interact. energy: -0.001
local terms energy: -80.068012
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -20.958
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: 488
Temperature: 0.950000
Total energy: -226.681357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.681357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.681357 (E_RNA)
where:
Base-Base interactions energy: -149.467
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.149
local terms energy: -77.065598
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -18.275
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -227.092408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.092408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.092408 (E_RNA)
where:
Base-Base interactions energy: -150.342
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.006
local terms energy: -76.744734
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -17.871
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: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -221.873150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.873150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.873150 (E_RNA)
where:
Base-Base interactions energy: -145.213
where: short stacking energy: -75.102
Base-Backbone interact. energy: -0.004
local terms energy: -76.656385
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -19.668
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: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -185.148398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.148398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.148398 (E_RNA)
where:
Base-Base interactions energy: -122.649
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.568
local terms energy: -61.930781
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -11.666
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: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -188.507045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.507045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.507045 (E_RNA)
where:
Base-Base interactions energy: -122.881
where: short stacking energy: -65.081
Base-Backbone interact. energy: -0.002
local terms energy: -65.624319
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.265
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: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -126.504638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.504638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.504638 (E_RNA)
where:
Base-Base interactions energy: -69.609
where: short stacking energy: -44.864
Base-Backbone interact. energy: -0.121
local terms energy: -56.774423
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -90.590815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.590815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.590815 (E_RNA)
where:
Base-Base interactions energy: -38.977
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.279
local terms energy: -51.334754
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -83.084328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.084328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.084328 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.041
local terms energy: -51.204600
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -75.351858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.351858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.351858 (E_RNA)
where:
Base-Base interactions energy: -28.833
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.262
local terms energy: -46.257027
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -0.039
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: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -230.797353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.797353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.797353 (E_RNA)
where:
Base-Base interactions energy: -147.363
where: short stacking energy: -77.201
Base-Backbone interact. energy: -0.004
local terms energy: -83.430236
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -19.375
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: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -230.151459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.151459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.151459 (E_RNA)
where:
Base-Base interactions energy: -157.622
where: short stacking energy: -74.727
Base-Backbone interact. energy: 0.549
local terms energy: -73.078803
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -221.719334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.719334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.719334 (E_RNA)
where:
Base-Base interactions energy: -155.361
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.119
local terms energy: -66.239402
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -17.498
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: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -172.820661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.820661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.820661 (E_RNA)
where:
Base-Base interactions energy: -106.121
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.074
local terms energy: -66.626017
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -197.064273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.064273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.064273 (E_RNA)
where:
Base-Base interactions energy: -125.258
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.242
local terms energy: -71.564360
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -16.500
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: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -194.624225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.624225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.624225 (E_RNA)
where:
Base-Base interactions energy: -127.879
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.034
local terms energy: -66.711923
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -93.263485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.263485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.263485 (E_RNA)
where:
Base-Base interactions energy: -35.287
where: short stacking energy: -29.158
Base-Backbone interact. energy: 0.793
local terms energy: -58.768971
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -86.888934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.888934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.888934 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.356
local terms energy: -50.274404
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -82.518304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.518304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.518304 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -16.774
Base-Backbone interact. energy: -0.084
local terms energy: -45.645345
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: 2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -88.145222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.145222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.145222 (E_RNA)
where:
Base-Base interactions energy: -47.082
where: short stacking energy: -26.118
Base-Backbone interact. energy: -0.054
local terms energy: -41.009383
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -7.529
flat angles P-C4'-P energy: -4.242
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: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -234.274399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.274399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.274399 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -70.662
Base-Backbone interact. energy: -0.002
local terms energy: -79.017994
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -227.462732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.462732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.462732 (E_RNA)
where:
Base-Base interactions energy: -148.164
where: short stacking energy: -78.236
Base-Backbone interact. energy: -0.025
local terms energy: -79.274015
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -231.290073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.290073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.290073 (E_RNA)
where:
Base-Base interactions energy: -157.105
where: short stacking energy: -67.827
Base-Backbone interact. energy: -0.078
local terms energy: -74.107027
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -177.562526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.562526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.562526 (E_RNA)
where:
Base-Base interactions energy: -113.321
where: short stacking energy: -54.495
Base-Backbone interact. energy: 0.055
local terms energy: -64.296948
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -10.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -210.741629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.741629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.741629 (E_RNA)
where:
Base-Base interactions energy: -135.476
where: short stacking energy: -68.719
Base-Backbone interact. energy: -0.003
local terms energy: -75.262797
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -191.911237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.911237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.911237 (E_RNA)
where:
Base-Base interactions energy: -123.028
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.002
local terms energy: -68.881431
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -11.401
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: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -104.214455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.214455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.214455 (E_RNA)
where:
Base-Base interactions energy: -51.169
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.101
local terms energy: -52.944350
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -78.747106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.747106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.747106 (E_RNA)
where:
Base-Base interactions energy: -26.315
where: short stacking energy: -24.424
Base-Backbone interact. energy: 0.484
local terms energy: -52.916330
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -116.140414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.140414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.140414 (E_RNA)
where:
Base-Base interactions energy: -56.030
where: short stacking energy: -28.558
Base-Backbone interact. energy: -0.116
local terms energy: -59.994942
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -78.336318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.336318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.336318 (E_RNA)
where:
Base-Base interactions energy: -30.344
where: short stacking energy: -18.874
Base-Backbone interact. energy: -0.123
local terms energy: -47.869494
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -3.561
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: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -242.030170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.030170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.030170 (E_RNA)
where:
Base-Base interactions energy: -158.463
where: short stacking energy: -77.217
Base-Backbone interact. energy: 0.209
local terms energy: -83.776170
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -235.118780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.118780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.118780 (E_RNA)
where:
Base-Base interactions energy: -158.041
where: short stacking energy: -74.555
Base-Backbone interact. energy: -0.078
local terms energy: -77.000441
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -17.646
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -215.942829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942829 (E_RNA)
where:
Base-Base interactions energy: -136.876
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.159
local terms energy: -78.908020
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -12.369
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: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -199.659510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.659510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.659510 (E_RNA)
where:
Base-Base interactions energy: -122.565
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.119
local terms energy: -76.975597
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -173.869623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.869623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.869623 (E_RNA)
where:
Base-Base interactions energy: -112.584
where: short stacking energy: -50.422
Base-Backbone interact. energy: -0.010
local terms energy: -61.276114
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -199.125983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.125983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.125983 (E_RNA)
where:
Base-Base interactions energy: -133.910
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.004
local terms energy: -65.211336
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -18.606
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: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -92.273612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.273612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.273612 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -27.121
Base-Backbone interact. energy: -1.337
local terms energy: -59.700306
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -115.487594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.487594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.487594 (E_RNA)
where:
Base-Base interactions energy: -69.564
where: short stacking energy: -30.077
Base-Backbone interact. energy: -0.244
local terms energy: -45.678687
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -6.639
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: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -85.640021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.640021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.640021 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -25.705
Base-Backbone interact. energy: 1.054
local terms energy: -51.484879
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -75.964399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.964399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.964399 (E_RNA)
where:
Base-Base interactions energy: -35.386
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.001
local terms energy: -40.576778
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -234.065520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.065520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.065520 (E_RNA)
where:
Base-Base interactions energy: -152.049
where: short stacking energy: -66.553
Base-Backbone interact. energy: -0.202
local terms energy: -81.814512
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -227.338765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.338765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.338765 (E_RNA)
where:
Base-Base interactions energy: -147.925
where: short stacking energy: -71.984
Base-Backbone interact. energy: -0.004
local terms energy: -79.410118
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -208.216945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.216945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.216945 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.012
local terms energy: -76.993542
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -20.004
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: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -199.529643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.529643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529643 (E_RNA)
where:
Base-Base interactions energy: -127.603
where: short stacking energy: -58.554
Base-Backbone interact. energy: -0.092
local terms energy: -71.834876
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.041
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: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -226.534094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.534094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.534094 (E_RNA)
where:
Base-Base interactions energy: -148.844
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.014
local terms energy: -77.675836
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -176.424869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.424869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.424869 (E_RNA)
where:
Base-Base interactions energy: -108.895
where: short stacking energy: -48.856
Base-Backbone interact. energy: -0.103
local terms energy: -67.427157
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -110.890786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.890786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.890786 (E_RNA)
where:
Base-Base interactions energy: -63.582
where: short stacking energy: -36.484
Base-Backbone interact. energy: -0.280
local terms energy: -47.028881
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -7.352
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: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -85.576731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.576731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.576731 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.141
local terms energy: -50.383912
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -5.032
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: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -80.309067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.309067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.309067 (E_RNA)
where:
Base-Base interactions energy: -36.257
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.073
local terms energy: -43.978958
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -8.142
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: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -84.972542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.972542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.972542 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -25.010
Base-Backbone interact. energy: 0.314
local terms energy: -43.892314
where:
bonds (distance) C4'-P energy: -8.057
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -4.486
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: 493
Temperature: 0.900000
Total energy: -232.339098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.339098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.339098 (E_RNA)
where:
Base-Base interactions energy: -154.987
where: short stacking energy: -72.152
Base-Backbone interact. energy: -0.219
local terms energy: -77.133502
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -220.459491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.459491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.459491 (E_RNA)
where:
Base-Base interactions energy: -144.141
where: short stacking energy: -73.628
Base-Backbone interact. energy: -0.001
local terms energy: -76.317309
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -12.035
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: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -227.644076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.644076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.644076 (E_RNA)
where:
Base-Base interactions energy: -153.117
where: short stacking energy: -72.400
Base-Backbone interact. energy: -0.002
local terms energy: -74.525284
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -229.881268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.881268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.881268 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.001
local terms energy: -79.500022
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -200.051877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.051877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.051877 (E_RNA)
where:
Base-Base interactions energy: -126.055
where: short stacking energy: -61.196
Base-Backbone interact. energy: -0.023
local terms energy: -73.973990
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -16.717
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: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -147.486176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.486176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.486176 (E_RNA)
where:
Base-Base interactions energy: -87.368
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.120
local terms energy: -59.998907
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.981
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: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -91.616720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.616720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.616720 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -28.874
Base-Backbone interact. energy: -0.263
local terms energy: -57.567909
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -84.752187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.752187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.752187 (E_RNA)
where:
Base-Base interactions energy: -36.602
where: short stacking energy: -30.550
Base-Backbone interact. energy: -0.926
local terms energy: -47.223975
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: 1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -79.144071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.144071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.144071 (E_RNA)
where:
Base-Base interactions energy: -23.014
where: short stacking energy: -23.014
Base-Backbone interact. energy: -0.239
local terms energy: -55.891020
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -74.112860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.112860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.112860 (E_RNA)
where:
Base-Base interactions energy: -24.744
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.161
local terms energy: -49.208767
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -7.835
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: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -218.735465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.735465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.735465 (E_RNA)
where:
Base-Base interactions energy: -141.258
where: short stacking energy: -71.689
Base-Backbone interact. energy: -0.003
local terms energy: -77.474532
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -240.125715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.125715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.125715 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -74.594
Base-Backbone interact. energy: -0.489
local terms energy: -81.431391
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -219.897137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.897137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.897137 (E_RNA)
where:
Base-Base interactions energy: -132.840
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.000
local terms energy: -87.057279
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -23.807
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: 494
Temperature: 1.050000
Total energy: -217.154220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.154220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.154220 (E_RNA)
where:
Base-Base interactions energy: -145.581
where: short stacking energy: -69.030
Base-Backbone interact. energy: 0.298
local terms energy: -71.871687
where:
bonds (distance) C4'-P energy: -7.380
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -156.626437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.626437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.626437 (E_RNA)
where:
Base-Base interactions energy: -93.585
where: short stacking energy: -42.949
Base-Backbone interact. energy: 1.024
local terms energy: -64.065321
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -168.508162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.508162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.508162 (E_RNA)
where:
Base-Base interactions energy: -104.211
where: short stacking energy: -48.712
Base-Backbone interact. energy: 1.058
local terms energy: -65.355813
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -92.934283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.934283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.934283 (E_RNA)
where:
Base-Base interactions energy: -38.080
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.033
local terms energy: -54.820649
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -88.691689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691689 (E_RNA)
where:
Base-Base interactions energy: -33.938
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.272
local terms energy: -54.481185
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -74.668389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.668389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.668389 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -17.417
Base-Backbone interact. energy: -0.305
local terms energy: -43.030076
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: 0.400
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: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -73.466670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.466670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.466670 (E_RNA)
where:
Base-Base interactions energy: -22.680
where: short stacking energy: -22.680
Base-Backbone interact. energy: -0.126
local terms energy: -50.660813
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -2.593
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: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -208.323896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.323896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.323896 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -72.985
Base-Backbone interact. energy: 0.541
local terms energy: -74.593727
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -217.715917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.715917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.715917 (E_RNA)
where:
Base-Base interactions energy: -140.760
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.003
local terms energy: -76.953014
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -14.828
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: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -225.214438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.214438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.214438 (E_RNA)
where:
Base-Base interactions energy: -150.202
where: short stacking energy: -73.580
Base-Backbone interact. energy: 0.055
local terms energy: -75.067132
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -213.891535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.891535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.891535 (E_RNA)
where:
Base-Base interactions energy: -140.998
where: short stacking energy: -68.714
Base-Backbone interact. energy: 0.466
local terms energy: -73.359388
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -12.302
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: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -199.206392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.206392 (E_RNA)
where:
Base-Base interactions energy: -127.411
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.011
local terms energy: -71.783816
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -7.878
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -170.695067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.695067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.695067 (E_RNA)
where:
Base-Base interactions energy: -107.016
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.017
local terms energy: -63.662322
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -90.749520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.749520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.749520 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -28.868
Base-Backbone interact. energy: -0.279
local terms energy: -52.837559
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -9.011
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: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -81.772559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772559 (E_RNA)
where:
Base-Base interactions energy: -28.994
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.276
local terms energy: -52.502297
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -77.298945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.298945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.298945 (E_RNA)
where:
Base-Base interactions energy: -37.339
where: short stacking energy: -35.128
Base-Backbone interact. energy: -0.221
local terms energy: -39.738161
where:
bonds (distance) C4'-P energy: -7.232
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -77.596647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.596647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.596647 (E_RNA)
where:
Base-Base interactions energy: -29.698
where: short stacking energy: -19.120
Base-Backbone interact. energy: -0.083
local terms energy: -47.814994
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -4.302
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -206.148240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.148240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.148240 (E_RNA)
where:
Base-Base interactions energy: -132.548
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.156
local terms energy: -73.444183
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -207.701514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.701514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.701514 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -61.806
Base-Backbone interact. energy: -0.522
local terms energy: -77.889269
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -230.194761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.194761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.194761 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -70.675
Base-Backbone interact. energy: -0.000
local terms energy: -78.308260
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -12.519
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: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -212.350103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.350103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.350103 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -63.355
Base-Backbone interact. energy: -0.254
local terms energy: -75.174092
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -182.059542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.059542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.059542 (E_RNA)
where:
Base-Base interactions energy: -109.393
where: short stacking energy: -57.484
Base-Backbone interact. energy: -0.419
local terms energy: -72.247652
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -164.422186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.422186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.422186 (E_RNA)
where:
Base-Base interactions energy: -93.870
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.406
local terms energy: -70.146307
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -88.485707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485707 (E_RNA)
where:
Base-Base interactions energy: -33.604
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.008
local terms energy: -54.873399
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.277
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: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -88.403388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403388 (E_RNA)
where:
Base-Base interactions energy: -42.816
where: short stacking energy: -24.772
Base-Backbone interact. energy: -0.778
local terms energy: -44.809938
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: 0.341
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: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -82.447979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.447979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.447979 (E_RNA)
where:
Base-Base interactions energy: -23.025
where: short stacking energy: -22.633
Base-Backbone interact. energy: -0.003
local terms energy: -59.420172
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -8.898
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: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -75.812488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.812488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.812488 (E_RNA)
where:
Base-Base interactions energy: -30.639
where: short stacking energy: -25.874
Base-Backbone interact. energy: -0.226
local terms energy: -44.946800
where:
bonds (distance) C4'-P energy: -7.884
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -236.632586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.632586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.632586 (E_RNA)
where:
Base-Base interactions energy: -162.015
where: short stacking energy: -77.926
Base-Backbone interact. energy: -0.351
local terms energy: -74.267066
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -9.896
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: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -229.070096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.070096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.070096 (E_RNA)
where:
Base-Base interactions energy: -155.075
where: short stacking energy: -76.651
Base-Backbone interact. energy: 0.992
local terms energy: -74.986901
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -205.114583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.114583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.114583 (E_RNA)
where:
Base-Base interactions energy: -132.377
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.004
local terms energy: -72.733594
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -195.038459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.038459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.038459 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -53.089
Base-Backbone interact. energy: -0.026
local terms energy: -67.154395
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -177.633421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.633421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.633421 (E_RNA)
where:
Base-Base interactions energy: -113.008
where: short stacking energy: -50.593
Base-Backbone interact. energy: -0.369
local terms energy: -64.257247
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -169.352109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.352109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.352109 (E_RNA)
where:
Base-Base interactions energy: -107.027
where: short stacking energy: -52.089
Base-Backbone interact. energy: -0.042
local terms energy: -62.283101
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -99.940429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.940429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.940429 (E_RNA)
where:
Base-Base interactions energy: -41.720
where: short stacking energy: -41.720
Base-Backbone interact. energy: -0.004
local terms energy: -58.216236
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -78.087069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.087069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.087069 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -30.923
Base-Backbone interact. energy: -0.050
local terms energy: -47.113559
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -89.956315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.956315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.956315 (E_RNA)
where:
Base-Base interactions energy: -43.122
where: short stacking energy: -18.918
Base-Backbone interact. energy: -0.490
local terms energy: -46.344511
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: 0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -75.411971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.411971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.411971 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.096
local terms energy: -41.811751
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -8.315
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -241.678046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.678046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.678046 (E_RNA)
where:
Base-Base interactions energy: -160.329
where: short stacking energy: -74.991
Base-Backbone interact. energy: -0.269
local terms energy: -81.079547
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -236.519779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.519779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.519779 (E_RNA)
where:
Base-Base interactions energy: -159.706
where: short stacking energy: -75.546
Base-Backbone interact. energy: -0.588
local terms energy: -76.225569
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -20.747
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: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -216.589788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.589788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.589788 (E_RNA)
where:
Base-Base interactions energy: -139.608
where: short stacking energy: -72.949
Base-Backbone interact. energy: -0.029
local terms energy: -76.953119
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -10.276
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: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -190.097879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.097879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.097879 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -51.699
Base-Backbone interact. energy: -0.254
local terms energy: -67.591620
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -179.414185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.414185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.414185 (E_RNA)
where:
Base-Base interactions energy: -114.875
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.002
local terms energy: -64.537358
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -10.785
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: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -188.654314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.654314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.654314 (E_RNA)
where:
Base-Base interactions energy: -127.968
where: short stacking energy: -70.780
Base-Backbone interact. energy: 0.927
local terms energy: -61.612587
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -15.797
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: 498
Temperature: 1.200000
Total energy: -114.566310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.566310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.566310 (E_RNA)
where:
Base-Base interactions energy: -61.442
where: short stacking energy: -47.401
Base-Backbone interact. energy: -0.223
local terms energy: -52.900730
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -80.372808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.372808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.372808 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -24.914
Base-Backbone interact. energy: -0.580
local terms energy: -47.967279
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -2.642
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: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -84.084453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.084453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.084453 (E_RNA)
where:
Base-Base interactions energy: -27.791
where: short stacking energy: -27.791
Base-Backbone interact. energy: -0.227
local terms energy: -56.066362
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -3.108
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: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -68.500188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.500188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.500188 (E_RNA)
where:
Base-Base interactions energy: -24.762
where: short stacking energy: -22.961
Base-Backbone interact. energy: -0.181
local terms energy: -43.557802
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/Scientist-4ef75c2c_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -241.350105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.350105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.350105 (E_RNA)
where:
Base-Base interactions energy: -164.437
where: short stacking energy: -76.252
Base-Backbone interact. energy: -0.001
local terms energy: -76.912750
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -22.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -214.460342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.460342 (E_RNA)
where:
Base-Base interactions energy: -137.213
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.315
local terms energy: -76.932583
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -220.107585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.107585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.107585 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -71.490
Base-Backbone interact. energy: 0.664
local terms energy: -78.755822
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -190.570928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.570928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.570928 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -51.189
Base-Backbone interact. energy: 0.656
local terms energy: -66.175489
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -170.304470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.304470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.304470 (E_RNA)
where:
Base-Base interactions energy: -99.884
where: short stacking energy: -48.128
Base-Backbone interact. energy: -0.032
local terms energy: -70.389166
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -9.224
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: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -172.341673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.341673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.341673 (E_RNA)
where:
Base-Base interactions energy: -109.376
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.190
local terms energy: -62.775462
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -13.197
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: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -91.030762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.030762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.030762 (E_RNA)
where:
Base-Base interactions energy: -35.302
where: short stacking energy: -22.124
Base-Backbone interact. energy: -0.907
local terms energy: -54.821591
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -7.639
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: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -113.750213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.750213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.750213 (E_RNA)
where:
Base-Base interactions energy: -59.715
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.202
local terms energy: -53.832893
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -85.071235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.071235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.071235 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -29.855
Base-Backbone interact. energy: -0.233
local terms energy: -47.889893
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -7.165
flat angles P-C4'-P energy: -9.503
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: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -87.228630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.228630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.228630 (E_RNA)
where:
Base-Base interactions energy: -38.065
where: short stacking energy: -29.877
Base-Backbone interact. energy: -0.182
local terms energy: -48.982028
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -1.941
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)